SCHEMBL97197

SCHEMBL97197

O=[C]c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 1/20 0.47
CMA1 P23946 2/20 0.46
MAPT P10636 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
HPGD P15428 1/20 0.42
SRD5A2 P31213 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL3030269 0.87 TSHR (0.46) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL97119 0.83 NPC1 (0.45) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL9669171 0.82 SMN1; SMN2 (0.37) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL2156716 0.79 ALDH1A1 (0.50) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL140150 0.78 MAPT (0.51) KMT2ASMN1; SMN2MEN1POLBALDH1A1
SCHEMBL30300332 0.78 MAPT (0.51) KMT2ASMN1; SMN2MEN1POLBALDH1A1
SCHEMBL6018971 0.78 CYP3A4 (0.48) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL9432285 0.78 CYP3A4 (0.48) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL10745644 0.78 MIF (0.49) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL861172 0.78 CYP3A4 (0.48) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US claimed
US-7238700-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-07-03 US claimed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US claimed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US claimed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US claimed
EP-1501504-B1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2007-02-07 EP claimed
US-6982259-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-01-03 US claimed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US claimed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
WO-1999023090-A1 NOVEL GENIPIN DERIVATIVE HAVING LIVER PROTECTION ACTIVITY CHOONGWAE PHARMA CORPORATION (KR) 1999-05-14 WO claimed
WO-1994014765-A1 CYCLOHEXYLSULFONYL-ACRYLIC ACID AND ITS DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-07-07 WO claimed
US-5206363-A PROCESS FOR THE RESOLUTION OF ENANTIOMERS OF 5-HETEROARYL-1,3,4-THIADIAZINONES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-27 US claimed
EP-0150507-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR PRODUCING THE SAME AND COMPOSITIONS CONTAINING THEM MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP claimed
US-4916128-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 US claimed
US-4888332-A ANTIBIOTICS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-12-19 US claimed
EP-0150507-A2 Cephalosporin derivatives, processes for producing the same and compositions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 EP claimed
US-4472386-A 5-Fluoro-(β-uridine or 2'-deoxy-β-uridine) derivatives, a process for producing the same and a carcinostatic agent containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1984-09-18 US claimed
US-4083981-A INDOLE-3-ACETIC ACID DERIVATIVES AND NARCOTIC SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-04-11 US claimed
US-4029798-A SYNERGISTIC MIXTURE OF INDOLE-3-ACETIC ACID DERIVATIVE AND NARCOTIC SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-14 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE NPC1 40/4885RAB9A 494/4885KMT2A 4617/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE NPC1 40/4885RAB9A 494/4885KMT2A 4617/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE NPC1 36/4885RAB9A 448/4885KMT2A 4602/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 NPC1 84/4885RAB9A 1349/4885KMT2A 3861/4885

“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.