SCHEMBL6963277

SCHEMBL6963277

CC(C)(C)OC(=O)NC(C(=O)Nc1n[nH]c(=S)s1)C(C)(C)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 0.53
MMP1 P03956 8/20 0.49
MMP2 P08253 4/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL6968705 0.95 MMP3 (0.52) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL8143889 0.89 MMP3 (0.57) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6957813 0.83 MMP3 (0.46) MMP3MMP1MMP2CA1CA2
SCHEMBL6963435 0.83 MMP3 (0.47) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6963446 0.83 MMP3 (0.47) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6954692 0.80 MMP3 (0.45) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6954697 0.80 MMP3 (0.45) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6961552 0.79 MMP3 (0.64) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6957808 0.79 MMP3 (0.55) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6957803 0.79 MMP3 (0.55) MMP3MMP1MMP2KDM4EALDH1A1

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 5 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-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