SCHEMBL7499238

SCHEMBL7499238

COc1ccc(-c2ccc(S(=O)(=O)C(N)(CC#Cc3ccccc3)C(=O)O)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.59
MMP2 P08253 10/20 0.59
MMP1 P03956 8/20 0.59
MMP3 P08254 7/20 0.59
MMP9 P14780 5/20 0.44
MMP8 P22894 2/20 0.43
HSD17B2 P37059 2/20 0.42
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37

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
SCHEMBL7449935 0.92 MMP13 (0.60) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7447271 0.86 MMP2 (0.59) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7516820 0.84 MMP13 (0.54) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7507876 0.78 MMP2 (0.60) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7507252 0.77 MMP13 (0.43) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7502278 0.76 MMP13 (0.55) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7903544 0.75 MMP13 (0.57) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7508943 0.75 MMP2 (0.53) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7499228 0.74 MMP2 (1.00) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7516549 0.74 MMP1 (0.49) MMP13MMP2MMP1MMP3MMP9

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 6 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
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed