SCHEMBL7447271

SCHEMBL7447271

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.59
MMP3 P08254 5/20 0.59
MMP13 P45452 4/20 0.59
MMP9 P14780 12/20 0.55
MMP1 P03956 3/20 0.44
MMP8 P22894 2/20 0.39
MMP14 P50281 1/20 0.39
MMP25 Q9NPA2 1/20 0.39
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
PTGES O14684 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7507876 0.92 MMP2 (0.60) MMP2MMP3MMP13MMP9MMP1
SCHEMBL7499238 0.86 MMP13 (0.59) MMP2MMP3MMP13MMP9MMP1
SCHEMBL7516820 0.80 MMP13 (0.54) MMP2MMP3MMP13MMP9MMP1
SCHEMBL7449935 0.78 MMP13 (0.60) MMP2MMP3MMP13MMP9MMP1
SCHEMBL7447269 0.74 MMP2 (1.00) MMP2MMP3MMP13MMP9MMP1
SCHEMBL7507872 0.74 MMP2 (0.88) MMP2MMP3MMP13MMP9MMP1
SCHEMBL7451538 0.74 F10 (0.48) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL7507252 0.73 MMP13 (0.43) MMP2MMP3MMP13MMP9MMP1
SCHEMBL7512865 0.73 KMT2A (0.39) MMP2MMP3MMP13MMP9MMP1
SCHEMBL7509277 0.73 MMP2 (0.51) MMP2MMP3MMP13MMP9MMP1

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