SCHEMBL1908883

SCHEMBL1908883

CC(C)(C)CCCS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
NLRP3 Q96P20 1/20 0.35
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PTPRB P23467 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
SCHEMBL1908886 0.92 ALDH1A1 (0.40) ALDH1A1LMNATP53NLRP3
SCHEMBL27013497 0.90 ALDH1A1 (0.39) ALDH1A1LMNATP53NLRP3
SCHEMBL8814117 0.83
SCHEMBL2625547 0.82 NLRP3 (0.38) ALDH1A1LMNATP53NLRP3
SCHEMBL21025101 0.79 PMP22 (0.34)
SCHEMBL23542140 0.77 ALDH1A1 (0.33) ALDH1A1LMNATP53NLRP3
SCHEMBL18487512 0.77
SCHEMBL12384260 0.76
SCHEMBL12424218 0.76 CA2 (0.33) LMNA
SCHEMBL8620435 0.76 APP (0.46) LMNA

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2023-11-23 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF ARES CAPITAL CORPORATION, AS AGENT 2023-04-27 US disclosed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-10838301-B2 Resist composition, method of forming resist pattern, fluorine-containing compound, and compound TOKYO OHKA KOGYO CO., LTD. (JP) 2020-11-17 US disclosed
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2018-07-24 US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 EP disclosed
US-8324239-B2 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120015907-A1 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-01-19 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-20080064071-A1 Thermostability; fusion proteins; kits AGILENT TECHNOLOGIES, INC. 2008-03-13 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 (13 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-20230167099-A1 NEW PYRAZINE COMPOUND EGFR, ERBB2, WEE1 ALDH1A1 2834/4885LMNA 4796/4885TP53 21/4885
US-10838301-B2 Resist composition, method of forming resist pattern, fluorine-containing compound, and compound AFF1, RER1, AFF2 ALDH1A1 1349/4885LMNA 1288/4885TP53 4000/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ALDH1A1 4709/4885LMNA 3425/4885TP53 915/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 ALDH1A1 4836/4885LMNA 4521/4885TP53 648/4885
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors MTOR, PIK3CA, CDK2 ALDH1A1 2666/4885LMNA 805/4885TP53 210/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF ALDH1A1 2506/4885LMNA 4790/4885TP53 147/4885
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF HIPK1, HIPK3, HIPK2 ALDH1A1 3197/4885LMNA 3278/4885TP53 656/4885
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 ALDH1A1 226/4885LMNA 4510/4885TP53 925/4885
US-20120015907-A1 Furopyridine compounds and uses thereof CYP3A5, QDPR, DPYD ALDH1A1 178/4885LMNA 4387/4885TP53 4317/4885
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF LSS, NRDC, SPOUT1 ALDH1A1 4234/4885LMNA 4548/4885TP53 4340/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 ALDH1A1 1738/4885LMNA 2825/4885TP53 826/4885
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF HMOX1, CD209, HMOX2 ALDH1A1 115/4885LMNA 4039/4885TP53 937/4885
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament MAVS, ZC3HAV1, SARS1 ALDH1A1 1983/4885LMNA 3207/4885TP53 2379/4885

“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.