SCHEMBL7447269

SCHEMBL7447269

COc1ccc(C#Cc2ccc(S(=O)(=O)NC(CC#Cc3ccccc3)C(=O)O)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 1.00
MMP13 P45452 13/20 1.00
MMP3 P08254 11/20 1.00
MMP9 P14780 8/20 0.78
MMP1 P03956 3/20 0.76
MMP8 P22894 1/20 0.66

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
SCHEMBL7507872 0.93 MMP2 (0.88) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7499228 0.86 MMP2 (1.00) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7449930 0.80 MMP13 (0.88) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7516814 0.80 MMP13 (1.00) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7450637 0.78 MMP2 (0.86) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7451466 0.77 MMP13 (0.65) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7514849 0.77 MMP13 (0.81) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7507876 0.75 MMP2 (0.60) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7512859 0.75 MMP13 (0.60) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7447271 0.74 MMP2 (0.59) MMP2MMP13MMP3MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002538136-A 2002-11-12 JP claimed
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP claimed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US claimed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO 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