SCHEMBL628967

SCHEMBL628967

COC(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
FOLH1 Q04609 10/20 0.58
MAPT P10636 1/20 0.56
LAP3 P28838 3/20 0.54
MME P08473 1/20 0.49
NAALAD2 Q9Y3Q0 2/20 0.48
PLA2G2A P14555 2/20 0.47
PLA2G5 P39877 2/20 0.47
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47

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
SCHEMBL628966 1.00 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL3447885 1.00 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL23964665 0.84 FOLH1 (0.64) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL27337953 0.84 FOLH1 (0.64) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL13147590 0.84 LAP3 (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL3841242 0.83 ALDH1A1 (0.55) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL27134001 0.83 ALDH1A1 (0.55) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL12500677 0.83 ALDH1A1 (0.48) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL12661064 0.83 ALDH1A1 (0.48) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL8536002 0.83 ALDH1A1 (0.48) ALDH1A1MEN1LMNAKMT2AFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 WO disclosed
US-11827586-B2 Method for producing amino acid aminoalkyl ester or inorganic acid salt thereof ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-11-28 US disclosed
US-20210253517-A1 METHOD FOR PRODUCING AMINO ACID AMINOALKYL ESTER OR INORGANIC ACID SALT THEREOF ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-19 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160340344-A1 BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES JANSSEN SCIENCES IRELAND UC (IE) 2016-11-24 US disclosed
US-9433609-B2 Benzimidazole-imidazole derivatives JANSSEN SCIENCES IRELAND UC (IE) 2016-09-06 US disclosed
US-9427428-B2 Benzimidazole-imidazole derivatives JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-9284270-B2 Boronic acid catalysts and methods of use thereof for activation and transformation of carboxylic acids THE GOVERNERS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-15 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
CN-1341593-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341592-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341590-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1261276-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-07-26 CN disclosed
CN-1207095-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN disclosed
US-5523463-A Method of producing halogenated and alpha-aminoalchohols HOFFMANN-LA ROCHE INC. (US) 1996-06-04 US disclosed
EP-0381997-A1 Microbially prepared N-acetyl-2,3-didehydroleucine acylase, process for its preparation and its use Degussa Aktiengesellschaft (DE) 1990-08-16 EP 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 (5 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-20210253517-A1 METHOD FOR PRODUCING AMINO ACID AMINOALKYL ESTER OR INORGANIC ACID SALT THEREOF SLC6A15, SLC6A19, ALAD ALDH1A1 1123/4885MEN1 2569/4885LMNA 4460/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885MEN1 4867/4885LMNA 3159/4885
US-20160340344-A1 BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES HAVCR2, CBR3, ZC3HAV1 ALDH1A1 1349/4885MEN1 4654/4885LMNA 4586/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885MEN1 4867/4885LMNA 3159/4885
US-11827586-B2 Method for producing amino acid aminoalkyl ester or inorganic acid salt thereof SLC6A15, SLC6A19, ALAD ALDH1A1 1123/4885MEN1 2569/4885LMNA 4460/4885

“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.