SCHEMBL7572935

SCHEMBL7572935

COc1ccc(-c2ccc(S(=O)(=O)NC(CC#Cc3cccc(N4CCOCC4)c3)C(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 1.00
MMP13 P45452 19/20 1.00
MMP3 P08254 14/20 1.00
MMP1 P03956 8/20 1.00
MMP9 P14780 1/20 0.69
MMP8 P22894 1/20 0.69

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
SCHEMBL7593698 0.94 MMP2 (0.88) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7447917 0.91 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7899850 0.88 MMP13 (0.79) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7513734 0.84 MMP13 (0.87) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7450575 0.83 MMP2 (0.70) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7516814 0.82 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7509322 0.81 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7572940 0.79 MMP2 (0.65) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7454031 0.78 MMP2 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7593703 0.77 MMP13 (0.63) 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 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