SCHEMBL6956501

SCHEMBL6956501

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 20/20 0.69
MMP1 P03956 12/20 0.69
MMP2 P08253 3/20 0.69
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53

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
SCHEMBL6961609 0.86 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL6957936 0.86 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL6954588 0.82 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6953380 0.82 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6950714 0.80 MMP3 (0.90) MMP3MMP1MMP2
SCHEMBL6950776 0.77 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL8708865 0.77 MMP3 (0.46) MMP3MMP1MMP2
SCHEMBL6950594 0.77 MMP3 (1.00) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6956498 0.77 MMP3 (0.83) MMP3MMP1MMP2
SCHEMBL24814079 0.76 MMP9 (0.69) 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-0900211-B1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS UPJOHN CO (US) 2003-07-02 EP claimed
EP-0900211-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-10 EP claimed
WO-1997040031-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-10-30 WO claimed
EP-0900211-B1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS UPJOHN CO (US) 2003-07-02 EP disclosed
EP-0900211-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-10 EP disclosed
WO-1997040031-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-10-30 WO disclosed