SCHEMBL2089231

SCHEMBL2089231

CN[C@H](C(=O)O)C(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
TP53 P04637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2089233 1.00 ALDH1A1 (0.36) ALDH1A1TSHRMAPTPTGS1HMGCR
SCHEMBL88565 0.81 CA2 (0.37) ALDH1A1TSHRMAPTPTGS1TP53
SCHEMBL3458098 0.81 CA2 (0.37) ALDH1A1TSHRMAPTPTGS1TP53
SCHEMBL3458099 0.81 CA2 (0.37) ALDH1A1TSHRMAPTPTGS1TP53
SCHEMBL28603346 0.81 TP53 (0.32) ALDH1A1TSHRTP53
Hydrochloric Acid SCHEMBL76316 0.79 CA2 (0.36) ALDH1A1TSHRMAPTPTGS1TP53
Hydrochloric Acid SCHEMBL17392837 0.79 CA2 (0.36) ALDH1A1TSHRMAPTPTGS1TP53
SCHEMBL28474948 0.79 ALDH1A1 (0.36) ALDH1A1TSHRMAPTPTGS1HMGCR
SCHEMBL28474945 0.79 ALDH1A1 (0.36) ALDH1A1TSHRMAPTPTGS1HMGCR
SCHEMBL162227 0.77 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122028793-A Fungicidal compositions 先正达农作物保护股份公司 2026-05-12 CN claimed
CN-118265452-A Fungicidal compositions 先正达农作物保护股份公司 2024-06-28 CN claimed
US-20230284616-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-09-14 US claimed
US-20230240293-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-08-03 US claimed
US-20230240291-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-08-03 US claimed
US-20230217924-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-07-13 US claimed
US-20230210113-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-07-06 US claimed
US-20230210114-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-07-06 US claimed
CN-115697055-A Fungicidal compositions 先正达农作物保护股份公司 2023-02-03 CN claimed
CN-115697056-A Fungicidal compositions 先正达农作物保护股份公司 2023-02-03 CN claimed
CN-115666238-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN claimed
CN-115666241-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN claimed
CN-115666240-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN claimed
CN-115666239-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN claimed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US claimed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US claimed
EP-0352092-B1 Novel antibiotics R106 TAKARA SHUZO CO (JP) 1993-10-27 EP claimed
EP-0352092-A2 Novel antibiotics R106 TAKARA SHUZO CO. LTD. (JP) 1990-01-24 EP claimed
US-4360458-A PEPTIDE ANTIBIOTICS, ANTIBIOTIC BBM-928 BRISTOL-MYERS COMPANY (US) 1982-11-23 US claimed
JP-4305534-A None JP disclosed
CN-122028793-A Fungicidal compositions 先正达农作物保护股份公司 2026-05-12 CN disclosed
US-12575567-B2 Fungicidal compositions SYNGENTA CROP PROTECTION AG (CH) 2026-03-17 US disclosed
CN-118265452-A Fungicidal compositions 先正达农作物保护股份公司 2024-06-28 CN disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230284616-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-09-14 US disclosed
US-20230240293-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-08-03 US disclosed
US-20230240291-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-08-03 US disclosed
US-20230217924-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-07-13 US disclosed
US-20230210113-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-07-06 US disclosed
US-20230210114-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-07-06 US disclosed
CN-112852908-B Aureobasidin with weeding effect, and preparation method and determination method thereof 青海省农林科学院 2023-05-19 CN disclosed
US-11643438-B2 Antimicrobial peptides and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2023-05-09 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
CN-115697055-A Fungicidal compositions 先正达农作物保护股份公司 2023-02-03 CN disclosed
CN-115697056-A Fungicidal compositions 先正达农作物保护股份公司 2023-02-03 CN disclosed
CN-115666240-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN disclosed
CN-115666241-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN disclosed
CN-115666238-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN disclosed
CN-115666239-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210317167-A1 ANTIMICROBIAL PEPTIDES AND METHODS OF USE UNIV OKLAHOMA (US) 2021-10-14 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
CN-112852908-A Aureobasidin with weeding effect and preparation method and determination method thereof 青海省农林科学院 2021-05-28 CN disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 US disclosed
EP-0991658-B1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO KG (DE) 2005-12-28 EP disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
EP-0687686-B1 AUREOBASIDINS TAKARA SHUZO CO (JP) 2000-08-30 EP disclosed
EP-0787140-A4 PROCESS FOR PERFORMING RETRO-ALDOL REACTION LILLY CO ELI (US) 1999-04-14 EP disclosed
US-5698670-A FUNGICIDES TAKARA SHUZO CO., LTD. (JP) 1997-12-16 US disclosed
US-5677423-A REMOVING BETA-HYDROXY GROUP FROM OLIGOPEPTIDE COMPOUND WITH A PROMOTER SELECTING FROM TRIMETHYLAMINE OXIDE, TRIETHYLAMINE OXIDE AND TRIMETHYLAMINE OXIDE HYDRATE ELI LILLY AND COMPANY (US) 1997-10-14 US disclosed
EP-0581429-B1 Process for synthesizing cyclic depsipeptides TAKARA SHUZO CO (JP) 1997-09-03 EP disclosed
EP-0787140-A1 PROCESS FOR PERFORMING RETRO-ALDOL REACTION ELI LILLY AND COMPANY (US) 1997-08-06 EP disclosed
US-5633345-A FUNGICIDE TAKARA SHUZO CO., LTD. (JP) 1997-05-27 US disclosed
US-5633346-A CYCLIZATION, FUNGICIDES TAKARA SHUZO CO., LTD. (JP) 1997-05-27 US disclosed
EP-0443719-B1 Novel R106 compounds TAKARA SHUZO CO (JP) 1997-05-07 EP disclosed
EP-0507484-B1 A pharmaceutical formulation of aureobasidins TAKARA SHUZO CO (JP) 1996-06-26 EP disclosed
WO-1996015142-A1 PROCESS FOR PERFORMING RETRO-ALDOL REACTION ELI LILLY AND COMPANY (US) 1996-05-23 WO disclosed
EP-0687686-A1 AUREOBASIDINS TAKARA SHUZO CO. LTD. (JP) 1995-12-20 EP disclosed
EP-0500264-B1 Agricultural and horticultural fungicides TAKARA SHUZO CO (JP) 1995-11-15 EP disclosed
EP-0581429-A2 Process for synthesizing cyclic depsipeptides TAKARA SHUZO CO. LTD. (JP) 1994-02-02 EP disclosed
US-5260214-A Aureobasidium pullulans which produces antibiotic R106 TAKARA SHUZO CO. (JP) 1993-11-09 US disclosed
EP-0547484-A1 Process for producing antibiotic R106-I Nippon Kayaku Kabushiki Kaisha (JP) 1993-06-23 EP disclosed
US-5200505-A Antibiotics for fungal infection TAKARA SHUZO CO., LTD. (JP) 1993-04-06 US disclosed
EP-0510271-A1 Novel R106 compounds TAKARA SHUZO CO. LTD. (JP) 1992-10-28 EP disclosed
JP-H04305534-A PHARMACEUTICAL OF AUREOBASIDINS TAKARA SHUZO CO LTD 1992-10-28 JP disclosed
US-5158876-A Fungicides TAKARA SHUZO CO., LTD. (JP) 1992-10-27 US disclosed
EP-0507484-A1 A pharmaceutical formulation of aureobasidins TAKARA SHUZO CO. LTD. (JP) 1992-10-07 EP disclosed
US-5057493-A Cyclic peptides, also fungicides TAKARA SHUZO CO., LTD. (JP) 1991-10-15 US disclosed
EP-0443719-A1 Novel R106 compounds TAKARA SHUZO CO. LTD. (JP) 1991-08-28 EP disclosed
US-4780416-A BACTERICIDES, ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-25 US disclosed
US-4631256-A FROM ACTINOMYCIN-ANTIBIOTIC, ANTITUMOR AGENT BRISTOL-MYERS COMPANY (US) 1986-12-23 US disclosed
US-4451456-A Antitumor antibacterial agents BRISTOL-MYERS COMPANY (US) 1984-05-29 US disclosed
US-4360458-A PEPTIDE ANTIBIOTICS, ANTIBIOTIC BBM-928 BRISTOL-MYERS COMPANY (US) 1982-11-23 US disclosed
US-4360458-A PEPTIDE ANTIBIOTICS, ANTIBIOTIC BBM-928 BRISTOL-MYERS COMPANY (US) 1982-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230240293-A1 FUNGICIDAL COMPOSITIONS CYP51A1, CYP4X1, CYP1B1 ALDH1A1 477/4885TSHR 4252/4885MAPT 2069/4885
US-20230284616-A1 FUNGICIDAL COMPOSITIONS CYP51A1, CYP4X1, CYP1B1 ALDH1A1 477/4885TSHR 4252/4885MAPT 2069/4885
US-20230240291-A1 FUNGICIDAL COMPOSITIONS CYP51A1, DDT, CYP1A2 ALDH1A1 996/4885TSHR 4086/4885MAPT 1738/4885
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO ALDH1A1 1830/4885TSHR 2115/4885MAPT 4570/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ALDH1A1 569/4885TSHR 3747/4885MAPT 3935/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ALDH1A1 569/4885TSHR 3747/4885MAPT 3935/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ALDH1A1 569/4885TSHR 3747/4885MAPT 3935/4885
US-20230210114-A1 FUNGICIDAL COMPOSITIONS CYP51A1, CYP4X1, CYP1B1 ALDH1A1 477/4885TSHR 4252/4885MAPT 2069/4885
US-20230217924-A1 FUNGICIDAL COMPOSITIONS CYP51A1, CYP4X1, CYP1B1 ALDH1A1 477/4885TSHR 4252/4885MAPT 2069/4885
US-20230210113-A1 FUNGICIDAL COMPOSITIONS CYP51A1, CYP4X1, CYP1B1 ALDH1A1 477/4885TSHR 4252/4885MAPT 2069/4885
US-11643438-B2 Antimicrobial peptides and methods of use VIP, NISCH, PTMA ALDH1A1 4238/4885TSHR 1101/4885MAPT 2187/4885
US-20210317167-A1 ANTIMICROBIAL PEPTIDES AND METHODS OF USE VIP, NISCH, PTMA ALDH1A1 4238/4885TSHR 1101/4885MAPT 2187/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ALDH1A1 569/4885TSHR 3747/4885MAPT 3935/4885
US-12575567-B2 Fungicidal compositions PAH, METAP1, TH ALDH1A1 2068/4885TSHR 2177/4885MAPT 3620/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO ALDH1A1 1830/4885TSHR 2115/4885MAPT 4570/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO ALDH1A1 1830/4885TSHR 2115/4885MAPT 4570/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.