SCHEMBL7181907

SCHEMBL7181907

CCCCC(=O)N[C@@H](CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.58
MMP2 P08253 6/20 0.44
MMP8 P22894 4/20 0.44
MMP9 P14780 4/20 0.44
MMP12 P39900 3/20 0.44
MMP14 P50281 3/20 0.44
MMP1 P03956 1/20 0.44
FAAH O00519 2/20 0.43
MMP3 P08254 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL7181905 1.00 MMP13 (0.58) MMP13MMP2MMP8MMP9MMP12
SCHEMBL7184281 0.90 MMP13 (0.74) MMP13MMP2MMP8MMP1MMP3
SCHEMBL7183683 0.84 MMP13 (0.79) MMP13MMP2MMP8MMP1MMP3
SCHEMBL7183687 0.84 MMP13 (0.79) MMP13MMP2MMP8MMP1MMP3
SCHEMBL7187623 0.78 MMP13 (0.47) MMP13MMP2MMP1CA12CA1
SCHEMBL7185986 0.75 MMP13 (0.82) MMP13CA2
SCHEMBL7185980 0.75 MMP13 (0.82) MMP13CA2
SCHEMBL7185940 0.75 MMP13 (0.67) MMP13MMP2MMP9MMP1MMP3
SCHEMBL7185942 0.75 MMP13 (0.67) MMP13MMP2MMP9MMP1MMP3
SCHEMBL7186097 0.74 MMP13 (1.00) MMP13MMP2MMP8MMP9MMP14

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
US-6583299-B1 Matrix metalloprotease inhibitors; nonsuppression of tumor necrosis factor production G.D. SEARLE & CO. 2003-06-24 US disclosed
EP-1178959-A1 ALPHA-AMINO-BETA-SULFONYL HYDROXAMIC ACID COMPOUNDS G.D. SEARLE & CO. (US) 2002-02-13 EP disclosed
WO-2000071514-A1 α-AMINO-β-SULFONYL HYDROXAMIC ACID COMPOUNDS G.D. SEARLE & CO. (US) 2000-11-30 WO disclosed