SCHEMBL3896602

SCHEMBL3896602

CC(CNS(=O)(=O)c1ccc(-c2ccc(OC(=O)c3cc4ccccc4o3)cc2)cc1)CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 5/20 0.67
MMP2 P08253 6/20 0.53
MMP14 P50281 2/20 0.53
GAA P10253 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.50
MMP13 P45452 3/20 0.48
MMP7 P09237 1/20 0.48
MMP12 P39900 1/20 0.48
ALPG P10696 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL3904150 0.89 ADAMTS4 (0.59) ADAMTS4MMP2MMP14GAALMNA
SCHEMBL12684680 0.80 ADAMTS4 (1.00) ADAMTS4MMP2MMP14MMP13MMP7
SCHEMBL12247612 0.80 ADAMTS4 (1.00) ADAMTS4MMP2MMP14MMP13MMP7
SCHEMBL1658546 0.80 ADAMTS4 (1.00) ADAMTS4MMP2MMP14MMP13MMP7
SCHEMBL20124798 0.79 ADAMTS4 (0.86) ADAMTS4MMP2MMP14MAPTMMP13
SCHEMBL3896601 0.78 ADAMTS4 (0.62) ADAMTS4MMP2MMP14GAALMNA
SCHEMBL1655209 0.75 ADAMTS4 (0.78) ADAMTS4MMP2MMP14MAPTCASP3
SCHEMBL3904143 0.73 ADAMTS4 (0.55) ADAMTS4MMP2MMP14GAALMNA
SCHEMBL7798915 0.73 ALDH1A1 (0.54) MMP2GAALMNAMMP13MMP7
SCHEMBL7402462 0.72 GRIA4 (0.53) ADAMTS4MMP2GAAMMP13MMP7

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-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-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