SCHEMBL7515533

SCHEMBL7515533

C=CC(COCc1ccccc1)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 9/20 0.56
MMP13 P45452 6/20 0.56
MMP2 P08253 10/20 0.53
MMP9 P14780 6/20 0.53
MMP3 P08254 4/20 0.53
MMP1 P03956 2/20 0.53
MMP7 P09237 2/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
ADAMTS5 Q9UNA0 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
SCHEMBL7509896 0.92 MMP13 (0.61) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL7570436 0.91 ADAMTS4 (0.51) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6742817 0.84 ADAMTS4 (0.60) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL7509479 0.82 CTSL (0.48) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6732397 0.77 ADAMTS4 (0.63) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6739724 0.77 ADAMTS4 (0.63) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL7380295 0.77 ADAMTS4 (0.63) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6667307 0.72 MMP9 (0.57) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL1656170 0.72 ADAMTS4 (1.00) ADAMTS4MMP13MMP2ADAMTS5
SCHEMBL12730470 0.72 ADAMTS4 (1.00) ADAMTS4MMP13MMP2ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US claimed
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed