SCHEMBL3904150

SCHEMBL3904150

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.59
GAA P10253 4/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP2 P08253 6/20 0.45
MMP14 P50281 2/20 0.45
ALDH1A1 P00352 1/20 0.43
MMP13 P45452 3/20 0.43
MMP7 P09237 1/20 0.43
MMP12 P39900 1/20 0.43
ALPG P10696 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3896602 0.89 ADAMTS4 (0.67) ADAMTS4GAALMNAMAPK1MAPT
SCHEMBL1655209 0.80 ADAMTS4 (0.78) ADAMTS4MAPTCASP3SENP7TDP1
SCHEMBL3904143 0.77 ADAMTS4 (0.55) ADAMTS4GAALMNAMAPK1MAPT
SCHEMBL12247612 0.75 ADAMTS4 (1.00) ADAMTS4MMP2MMP14MMP13MMP7
SCHEMBL12684680 0.75 ADAMTS4 (1.00) ADAMTS4MMP2MMP14MMP13MMP7
SCHEMBL1658546 0.75 ADAMTS4 (1.00) ADAMTS4MMP2MMP14MMP13MMP7
SCHEMBL3608441 0.74 MMP2 (0.74) ADAMTS4LMNAMAPK1MAPTCASP3
SCHEMBL20124798 0.73 ADAMTS4 (0.86) ADAMTS4MAPTMMP2MMP14MMP13
SCHEMBL3621198 0.72 MMP2 (0.77) ADAMTS4LMNAMMP2MMP14MMP13
SCHEMBL27593754 0.72 MMP2 (0.77) ADAMTS4LMNAMMP2MMP14MMP13

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