SCHEMBL6769488

SCHEMBL6769488

COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C(SCc3ccccn3)c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 10/20 0.61
RAB9A P51151 1/20 0.54
MMP13 P45452 8/20 0.54
MMP2 P08253 6/20 0.54
MMP9 P14780 5/20 0.54
MMP3 P08254 4/20 0.54
MMP1 P03956 3/20 0.54
MMP8 P22894 2/20 0.54
MMP7 P09237 1/20 0.54
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 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
SCHEMBL6742759 1.00 ADAMTS4 (0.61) ADAMTS4RAB9AMMP13MMP2MMP9
SCHEMBL6741519 0.87 MMP2 (0.60) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6738036 0.87 MMP2 (0.60) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6732456 0.85 MMP13 (0.63) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6738197 0.85 MMP13 (0.63) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6736475 0.84 MMP2 (0.51) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6741407 0.83 MMP13 (0.56) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6739709 0.83 ADAMTS4 (0.56) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6733022 0.82 MMP13 (0.57) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6736584 0.81 MMP2 (0.67) ADAMTS4MMP13MMP2MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696456-B1 CARBOCYCLIC ACIDS AND SALTS SUCH AS (2S,3R)-3-ETHYLSULFANYL-2-(4'-FLUORO-BIPHENYL-4-SULFONYLAMINO)-3- PHENYLPROPIONIC ACID, USED AS METALLOENZYME ANTAGONISTS FOR THE PROPHYLAXIS OF DEGENERATIVE JOINT DISEASE AND AS WOUND HEALING AGENTS THE PROCTER & GAMBLE COMPANY 2004-02-24 US claimed