SCHEMBL7510259

SCHEMBL7510259

O=C(O)C(CC#Cc1cccnc1)NS(=O)(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.81
MMP2 P08253 17/20 0.81
MMP3 P08254 16/20 0.81
MMP1 P03956 7/20 0.68
MMP9 P14780 1/20 0.68
MMP8 P22894 1/20 0.68
F2 P00734 1/20 0.51

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
SCHEMBL7516540 0.91 MMP13 (0.80) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7508941 0.90 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7557397 0.90 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7509269 0.87 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7516814 0.81 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7899837 0.78 MMP13 (0.82) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7502956 0.78 MMP13 (0.81) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7455389 0.78 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7509060 0.78 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7503026 0.77 MMP13 (0.72) MMP13MMP2MMP3MMP1MMP9

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