SCHEMBL5787491

SCHEMBL5787491

Cc1cc(-c2ccc(S(=O)(=O)N(CC(C)C)C(=O)O)cc2)cc(C)c1OC(=O)c1cc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.49
MMP2 P08253 5/20 0.43
RORC P51449 1/20 0.43
PTPN22 Q9Y2R2 6/20 0.42
MAPT P10636 2/20 0.42
MMP14 P50281 2/20 0.42
MMP13 P45452 3/20 0.41
MMP7 P09237 1/20 0.41
MMP12 P39900 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
CLK1 P49759 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5787297 0.89 ADAMTS4 (0.44) ADAMTS4MMP2RORCPTPN22MAPT
SCHEMBL3896601 0.89 ADAMTS4 (0.62) ADAMTS4MMP2RORCPTPN22MAPT
SCHEMBL5789992 0.85 ADAMTS4 (0.50) ADAMTS4MMP2MAPTMMP14MMP13
SCHEMBL13314510 0.78 ADAMTS4 (0.80) ADAMTS4MMP2MMP14MMP13MMP7
SCHEMBL3608574 0.78 ADAMTS4 (0.80) ADAMTS4MMP2MMP14MMP13MMP7
SCHEMBL14042765 0.78 ADAMTS4 (0.49) ADAMTS4MMP2MAPTMMP14MMP13
SCHEMBL3904143 0.78 ADAMTS4 (0.55) ADAMTS4MMP2PTPN22MAPTMMP14
SCHEMBL3907917 0.73 ADAMTS4 (0.62) ADAMTS4MMP2RORCMMP14MMP13
SCHEMBL3609279 0.73 ADAMTS4 (0.63) ADAMTS4MMP2MMP14MMP13MMP7
SCHEMBL7402456 0.68 TAS2R14 (0.67) MMP2RORCMMP14MMP13RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP claimed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO claimed