SCHEMBL6957197

SCHEMBL6957197

CC(C)(C)[C@H](NC(=O)CCc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 0.53
MMP1 P03956 7/20 0.53
MMP2 P08253 3/20 0.53
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CASP6 P55212 1/20 0.38

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
SCHEMBL6968360 1.00 MMP3 (0.53) MMP3MMP1MMP2CA1CA2
SCHEMBL6958491 0.83 MMP3 (0.58) MMP3MMP1MMP2
SCHEMBL6958497 0.83 MMP3 (0.58) MMP3MMP1MMP2
SCHEMBL8710918 0.77 MMP3 (0.45) MMP3MMP1MMP2CA1CA2
SCHEMBL6956792 0.74 MMP3 (0.59) MMP3MMP1MMP2
SCHEMBL6960997 0.72 MMP3 (0.65) MMP3MMP1MMP2CA1CA2
SCHEMBL6961003 0.72 MMP3 (0.65) MMP3MMP1MMP2CA1CA2
SCHEMBL8150208 0.71 MMP3 (0.71) MMP3MMP1MMP2CA1CA2
SCHEMBL8150209 0.71 MMP3 (0.71) MMP3MMP1MMP2CA1CA2
SCHEMBL6963068 0.70 MAPT (0.48) 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 4 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
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed