SCHEMBL2904532

SCHEMBL2904532

Cc1ccc(S(=O)(=O)NC(CC#Cc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.81
MMP13 P45452 15/20 0.81
MMP3 P08254 13/20 0.81
MMP1 P03956 4/20 0.60
MMP9 P14780 4/20 0.59
MMP8 P22894 1/20 0.59
ADAMTS5 Q9UNA0 1/20 0.50

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
SCHEMBL2326046 0.89 MMP13 (0.64) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4371861 0.89 MMP2 (0.64) MMP2MMP13MMP3MMP1MMP9
SCHEMBL8445758 0.83 MMP2 (0.76) MMP2MMP13MMP3MMP1MMP9
Tibeglisene SCHEMBL10419288 0.82 MMP2 (0.55) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7892463 0.80 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7456191 0.80 MMP2 (0.81) MMP2MMP13MMP3MMP1MMP9
SCHEMBL8650150 0.79 TDP1 (0.77) MMP2MMP13MMP3MMP1MMP9
SCHEMBL8387442 0.79 TDP1 (0.77) MMP2MMP13MMP3MMP1MMP9
SCHEMBL1260595 0.78 MMP13 (0.51) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4342501 0.77 MMP2 (0.59) MMP2MMP13MMP3MMP1MMP9

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-1899298-B1 DERIVATIVES OF 4,5-DIARYLPYRROLE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-08-18 EP disclosed
EP-1899298-A2 DERIVATIVES OF 4,5-DIARYLPYRROLE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000505-A2 DERIVATIVES OF 4,5-DIARYLPYRROLE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-01-04 WO disclosed