SCHEMBL209838

SCHEMBL209838

CC(C)(C)OC(=O)NCc1cccc(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.52
KDM4A O75164 1/20 0.46
BRD4 O60885 3/20 0.46
CREBBP Q92793 1/20 0.45
GRM2 Q14416 1/20 0.44
NAMPT P43490 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
IDO1 P14902 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL29952891 1.00 GLS (0.52) GLSKDM4ABRD4CREBBPGRM2
SCHEMBL25372210 0.88 GLS (0.43) GLSKDM4ABRD4CREBBPGRM2
SCHEMBL6258024 0.87 HDAC1 (0.53) GLSL3MBTL1HDAC1
SCHEMBL698405 0.86 NQO2 (0.49) GLSNAMPTCA1ATMCYP3A4
SCHEMBL6243284 0.86 HDAC1 (0.51) GLSKDM4ABRD4CREBBPGRM2
SCHEMBL26508626 0.86 HDAC1 (0.56) GLSKDM4ABRD4CREBBPGRM2
SCHEMBL13181773 0.85 GLS (0.47) GLSKDM4ABRD4CREBBPGRM2
SCHEMBL30580198 0.85 GLS (0.47) GLSKDM4ABRD4CREBBPGRM2
SCHEMBL8985043 0.85 MMP1 (0.51) GLSKDM4ABRD4CREBBPCA12
SCHEMBL25370290 0.85 GLS (0.47) GLSKDM4ABRD4CREBBPGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 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
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US claimed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US claimed
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US claimed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US claimed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP claimed
EP-1446392-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-08-18 EP claimed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO claimed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 US claimed
JP-2002539191-A 2002-11-19 JP claimed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 US claimed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP claimed
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP claimed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE GLS 145/4885KDM4A 4226/4885BRD4 2347/4885
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE GLS 203/4885KDM4A 3978/4885BRD4 1998/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE GLS 203/4885KDM4A 3978/4885BRD4 1998/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 GLS 879/4885KDM4A 1361/4885BRD4 1076/4885

“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.