SCHEMBL6955831

SCHEMBL6955831

O=C(COCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 17/20 0.64
MMP1 P03956 14/20 0.64
MMP2 P08253 4/20 0.64
MMP9 P14780 3/20 0.56
MMP8 P22894 3/20 0.56

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
SCHEMBL6955457 0.89 MMP3 (0.68) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6956753 0.88 MMP3 (0.64) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6958185 0.87 MMP3 (0.69) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6964276 0.87 MMP3 (0.65) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6964283 0.87 MMP3 (0.65) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6961008 0.86 MMP3 (0.59) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6958493 0.83 MMP3 (0.69) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6968594 0.81 MMP3 (0.71) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6955820 0.81 MMP3 (0.55) MMP3MMP1MMP2
SCHEMBL7357677 0.80 MMP1 (0.68) MMP3MMP1MMP2MMP9MMP8

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