SCHEMBL2912928

SCHEMBL2912928

Cc1ccc2sc(S(=O)(=O)Nc3ccc(C(=O)O)cc3S(C)(=O)=O)c(C)c2c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.81
PFKFB3 Q16875 4/20 0.53
PFKFB4 Q16877 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL2905833 0.90 CMA1 (1.00) CMA1PFKFB3PFKFB4L3MBTL1NPSR1
SCHEMBL2912893 0.90 CMA1 (0.82) CMA1PFKFB3PFKFB4L3MBTL1NPSR1
SCHEMBL2910756 0.90 CMA1 (0.85) CMA1PFKFB3PFKFB4
SCHEMBL2910824 0.88 CMA1 (0.81) CMA1PFKFB3PFKFB4
SCHEMBL2912236 0.81 CMA1 (0.82) CMA1PFKFB3PFKFB4L3MBTL1NPSR1
SCHEMBL2910110 0.81 CMA1 (1.00) CMA1PFKFB3PFKFB4
SCHEMBL2913594 0.81 CMA1 (0.66) CMA1PFKFB3PFKFB4L3MBTL1NPSR1
SCHEMBL13572241 0.81 CMA1 (0.71) CMA1PFKFB3PFKFB4
SCHEMBL2908164 0.80 CMA1 (0.76) CMA1PFKFB3PFKFB4L3MBTL1NPSR1
SCHEMBL16775639 0.80 CMA1 (0.67) CMA1PFKFB3PFKFB4L3MBTL1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325920-B1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD (JP) 2010-08-25 EP claimed
EP-1666067-A1 DRUG CONTAINING CHYMASE INHIBITOR AS THE ACTIVE INGREDIENT Teijin Pharma Limited (JP) 2006-06-07 EP disclosed