SCHEMBL5802158

SCHEMBL5802158

CC(CS(=O)(=O)c1ccc(-c2ccccc2)cc1)[C@@](N)(NC(=O)c1oc2ccccc2c1NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.45
MMP13 P45452 9/20 0.45
KMT2A Q03164 3/20 0.42
ADAMTS4 O75173 4/20 0.39
MMP14 P50281 1/20 0.38
MEN1 O00255 2/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MMP9 P14780 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
SCHEMBL3608781 0.78 MMP2 (0.56) MMP2MMP13ADAMTS4MMP14MMP9
SCHEMBL15714264 0.68 SMN1; SMN2 (0.58) KMT2AMEN1LMNA
SCHEMBL13314483 0.62 MMP13 (1.00) MMP2MMP13ADAMTS4MMP14MMP9
SCHEMBL3607658 0.62 MMP13 (1.00) MMP2MMP13ADAMTS4MMP14MMP9
SCHEMBL13314502 0.61 MMP2 (1.00) MMP2MMP13ADAMTS4MMP14MMP9
SCHEMBL3607424 0.61 MMP2 (1.00) MMP2MMP13ADAMTS4MMP14MMP9
SCHEMBL28195528 0.60 HIF1A (0.61) KMT2AMEN1TP53
SCHEMBL2703745 0.60 MMP2 (0.55) MMP2MMP13ADAMTS4MMP14MMP9
SCHEMBL12325767 0.60 ABCG2 (0.54) KMT2AMEN1LMNATP53
SCHEMBL16396579 0.59 ALDH1A1 (0.58) KMT2AMEN1LMNATP53

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 4 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
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed