SCHEMBL5790246

SCHEMBL5790246

COc1cc(-c2ccc(OCc3cc4ccccc4o3)cc2)ccc1S(=O)(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 17/20 0.77
MMP2 P08253 3/20 0.56
MMP14 P50281 2/20 0.56
MMP13 P45452 10/20 0.54
ADAMTS5 Q9UNA0 1/20 0.52
MMP7 P09237 1/20 0.48
MMP12 P39900 1/20 0.48

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
SCHEMBL5789356 0.93 ADAMTS4 (0.66) ADAMTS4MMP2MMP14MMP13ADAMTS5
SCHEMBL8284829 0.87 ADAMTS4 (1.00) ADAMTS4MMP2MMP14MMP13ADAMTS5
SCHEMBL1656897 0.87 ADAMTS4 (1.00) ADAMTS4MMP2MMP14MMP13ADAMTS5
SCHEMBL3612160 0.86 ADAMTS4 (0.78) ADAMTS4MMP2MMP14MMP13ADAMTS5
SCHEMBL13314513 0.86 ADAMTS4 (0.78) ADAMTS4MMP2MMP14MMP13ADAMTS5
SCHEMBL3603941 0.79 ADAMTS4 (0.67) ADAMTS4MMP2MMP14MMP13ADAMTS5
SCHEMBL1656276 0.78 ADAMTS4 (0.79) ADAMTS4MMP2MMP14MMP13ADAMTS5
SCHEMBL27667449 0.78 ADAMTS4 (0.79) ADAMTS4MMP2MMP14MMP13ADAMTS5
SCHEMBL27667450 0.76 ADAMTS4 (0.73) ADAMTS4MMP2MMP14MMP13ADAMTS5
SCHEMBL8284856 0.73 ADAMTS4 (0.76) ADAMTS4MMP2MMP14MMP13ADAMTS5

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-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP claimed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO claimed