SCHEMBL6965221

SCHEMBL6965221

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
MMP3 P08254 16/20 0.42
MMP1 P03956 9/20 0.39
MMP2 P08253 3/20 0.38
GLS O94925 1/20 0.36

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
SCHEMBL6954692 0.84 MMP3 (0.45) CA1CA2CA9MMP3MMP1
SCHEMBL6954697 0.84 MMP3 (0.45) CA1CA2CA9MMP3MMP1
SCHEMBL6957813 0.83 MMP3 (0.46) CA1CA2CA9MMP3MMP1
SCHEMBL6963435 0.82 MMP3 (0.47) MMP3MMP1MMP2
SCHEMBL6963446 0.82 MMP3 (0.47) MMP3MMP1MMP2
SCHEMBL7420574 0.77 MMP3 (0.62) CA1CA2CA9MMP3MMP1
SCHEMBL7420565 0.77 MMP3 (0.62) CA1CA2CA9MMP3MMP1
SCHEMBL6963277 0.76 MMP3 (0.53) CA1CA2MMP3MMP1MMP2
SCHEMBL6961552 0.75 MMP3 (0.64) CA1CA2CA9MMP3MMP1
SCHEMBL6968705 0.75 MMP3 (0.52) MMP3MMP1MMP2

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