SCHEMBL6961135

SCHEMBL6961135

COC(=O)[C@H](CC1CCCCC1)NC(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 19/20 0.77
MMP1 P03956 9/20 0.77
MMP2 P08253 3/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL6958038 0.87 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6951295 0.80 MMP3 (0.74) MMP3MMP1MMP2CA1CA2
SCHEMBL6963762 0.79 MMP3 (0.72) MMP3MMP1MMP2CA1CA2
SCHEMBL6963754 0.79 MMP3 (0.72) MMP3MMP1MMP2CA1CA2
SCHEMBL6956789 0.79 MMP3 (0.75) MMP3MMP1MMP2
SCHEMBL6952470 0.77 MMP3 (0.72) MMP3MMP1MMP2
SCHEMBL6950751 0.77 MMP3 (0.64) MMP3MMP1MMP2CA1CA2
SCHEMBL6950063 0.75 MMP3 (0.61) MMP3MMP1MMP2CA1CA2
SCHEMBL10118110 0.75 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL2680889 0.75 MMP3 (1.00) 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 3 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 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