SCHEMBL3901629

SCHEMBL3901629

Cc1c(C(=O)Oc2ccc(-c3ccc(S(=O)(=O)N(CC(C)C)C(=O)OC(C)(C)C)cc3)cc2)oc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 5/20 0.56
MMP13 P45452 4/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MMP2 P08253 3/20 0.39
HCRTR1 O43613 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KCNH2 Q12809 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP14 P50281 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 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
SCHEMBL3907917 0.89 ADAMTS4 (0.62) ADAMTS4MMP13ADAMTS5MMP2HCRTR1
SCHEMBL3904143 0.83 ADAMTS4 (0.55) ADAMTS4MMP13MMP2RAB9AMMP14
SCHEMBL5789992 0.79 ADAMTS4 (0.50) ADAMTS4MMP13ADAMTS5MMP2HCRTR1
SCHEMBL1656192 0.77 ADAMTS4 (0.79) ADAMTS4MMP13ADAMTS5MMP2MMP14
SCHEMBL5787297 0.76 ADAMTS4 (0.44) ADAMTS4MMP13MMP2RAB9AKMT2A
SCHEMBL5787926 0.72 HCRTR1 (0.38) ADAMTS4HCRTR1KCNH2RAB9AKMT2A
SCHEMBL1656199 0.71 ADAMTS4 (1.00) ADAMTS4MMP13ADAMTS5MMP2
SCHEMBL8288337 0.71 ADAMTS4 (1.00) ADAMTS4MMP13ADAMTS5MMP2
SCHEMBL3896601 0.71 ADAMTS4 (0.62) ADAMTS4MMP13MMP2RAB9AMMP14
SCHEMBL3613063 0.68 ADAMTS4 (0.64) ADAMTS4MMP13ADAMTS5MMP2MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689380-A4 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE WYETH CORP (US) 2009-03-18 EP disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
EP-1689380-A2 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE Wyeth (US) 2006-08-16 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
WO-2005060456-A2 METHOD FOR TREATING ADAMTS-5-ASSOCIATE DISEASE WYETH (US) 2005-07-07 WO disclosed