SCHEMBL6964527

SCHEMBL6964527

O=C(C[C@H](NC(=O)OCc1ccccc1)c1ccccc1)Nc1n[nH]c(=S)s1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.52
MMP1 P03956 5/20 0.52
MMP2 P08253 1/20 0.48

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
SCHEMBL6964530 1.00 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6967414 1.00 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6955820 0.88 MMP3 (0.55) MMP3MMP1MMP2
SCHEMBL6958179 0.85 MMP3 (0.54) MMP3MMP1MMP2
SCHEMBL6962615 0.84 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL6957511 0.84 MMP3 (0.50) MMP3MMP1MMP2
SCHEMBL6969997 0.83 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6963121 0.83 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6958278 0.83 MMP3 (0.46) MMP3MMP1MMP2
SCHEMBL6955451 0.82 MMP3 (0.53) 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 6 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
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed