SCHEMBL6949394

SCHEMBL6949394

COC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1n[nH]c(=S)s1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 18/20 0.82
MMP1 P03956 12/20 0.82
MMP2 P08253 2/20 0.63
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
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
SCHEMBL6953778 0.90 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL2680889 0.90 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL10118110 0.90 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6952195 0.89 MMP3 (0.81) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6954668 0.87 MMP3 (0.82) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6957673 0.85 MMP3 (0.90) MMP3MMP1MMP2
SCHEMBL15061612 0.82 MMP3 (0.84) MMP3MMP1MMP2
SCHEMBL6950356 0.80 MMP3 (0.81) MMP3MMP1MMP2
SCHEMBL6955457 0.80 MMP3 (0.68) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6963473 0.80 ALDH1A1 (0.56) MMP3MMP1ALDH1A1LMNAGLA

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