SCHEMBL6961636

SCHEMBL6961636

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.59
MMP3 P08254 7/20 0.57
MMP1 P03956 3/20 0.57
CTSS P25774 3/20 0.56
CTSL P07711 3/20 0.56
CTSB P07858 2/20 0.56
MMP2 P08253 1/20 0.54

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
SCHEMBL6961631 1.00 CTSK (0.59) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7357861 0.95 MMP3 (0.62) CTSKMMP3MMP1CTSLMMP2
SCHEMBL7357865 0.95 MMP3 (0.62) CTSKMMP3MMP1CTSLMMP2
SCHEMBL7365921 0.93 CTSK (0.59) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7364811 0.93 CTSK (0.59) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7426200 0.91 MMP3 (0.59) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7362025 0.91 CTSK (0.49) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7362031 0.91 CTSK (0.49) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7363971 0.90 CTSK (0.56) CTSKMMP3MMP1CTSSCTSL
SCHEMBL7363967 0.90 CTSK (0.56) CTSKMMP3MMP1CTSSCTSL

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP claimed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP claimed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO claimed
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP disclosed
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed