SCHEMBL3907917

SCHEMBL3907917

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 5/20 0.62
MMP13 P45452 5/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
HCRTR1 O43613 1/20 0.46
MMP2 P08253 4/20 0.43
MMP14 P50281 2/20 0.43
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KCNH2 Q12809 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
ADAM17 P78536 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL5789992 0.89 ADAMTS4 (0.50) ADAMTS4MMP13ADAMTS5HCRTR1MMP2
SCHEMBL3901629 0.89 ADAMTS4 (0.56) ADAMTS4MMP13ADAMTS5HCRTR1MMP2
SCHEMBL3896601 0.82 ADAMTS4 (0.62) ADAMTS4MMP13MMP2MMP14RAB9A
SCHEMBL1656199 0.77 ADAMTS4 (1.00) ADAMTS4MMP13ADAMTS5MMP2MMP1
SCHEMBL8288337 0.77 ADAMTS4 (1.00) ADAMTS4MMP13ADAMTS5MMP2MMP1
SCHEMBL5787491 0.73 ADAMTS4 (0.49) ADAMTS4MMP13MMP2MMP14RAB9A
SCHEMBL1656192 0.71 ADAMTS4 (0.79) ADAMTS4MMP13ADAMTS5MMP2MMP14
SCHEMBL3904143 0.71 ADAMTS4 (0.55) ADAMTS4MMP13MMP2MMP14RAB9A
SCHEMBL7402456 0.69 TAS2R14 (0.67) MMP13MMP2MMP14RAB9AKMT2A
SCHEMBL8286012 0.67 ADAMTS4 (0.80) 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 7 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
EP-1689716-A1 BIARYL SULFONAMIDES AND METHODS FOR USING SAME 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
WO-2005061459-A1 BIARYL SULFONAMIDES AND METHODS FOR USING SAME WYETH (US) 2005-07-07 WO disclosed