SCHEMBL6950696

SCHEMBL6950696

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

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 20/20 0.67
MMP1 P03956 10/20 0.67
MMP2 P08253 1/20 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
SCHEMBL6950694 1.00 MMP3 (0.67) MMP3MMP1MMP2
SCHEMBL6959258 0.92 MMP3 (0.62) MMP3MMP1MMP2
SCHEMBL6959253 0.92 MMP3 (0.62) MMP3MMP1MMP2
SCHEMBL6952093 0.89 MMP3 (0.69) MMP3MMP1MMP2
SCHEMBL6952846 0.81 MMP3 (0.80) MMP3MMP1MMP2
SCHEMBL10118110 0.81 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL2680889 0.81 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6953778 0.81 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL7332687 0.77 MMP3 (0.76) MMP3MMP1MMP2
SCHEMBL6955435 0.77 MMP3 (0.76) 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-0900211-B1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS UPJOHN CO (US) 2003-07-02 EP 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