SCHEMBL5095103

SCHEMBL5095103

NC(=O)CC[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.83
MMP13 P45452 5/20 0.68
MMP14 P50281 3/20 0.68
MMP12 P39900 2/20 0.68
ADAMTS4 O75173 2/20 0.68
MMP7 P09237 1/20 0.68
MMP9 P14780 4/20 0.66
MMP8 P22894 2/20 0.57
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
CLK1 P49759 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL4694515 1.00 MMP2 (0.83) MMP2MMP13MMP14MMP12ADAMTS4
SCHEMBL3619369 0.94 MMP2 (0.81) MMP2MMP13MMP14MMP12ADAMTS4
SCHEMBL4696678 0.91 MMP2 (1.00) MMP2MMP13MMP14MMP12ADAMTS4
SCHEMBL3619909 0.91 MMP2 (1.00) MMP2MMP13MMP14MMP12ADAMTS4
SCHEMBL3616183 0.90 MMP2 (0.76) MMP2MMP13MMP14MMP12ADAMTS4
SCHEMBL5789599 0.90 MMP2 (0.81) MMP2MMP13MMP14MMP12ADAMTS4
SCHEMBL3604331 0.90 MMP2 (0.81) MMP2MMP13MMP14MMP12ADAMTS4
SCHEMBL3619226 0.90 MMP2 (0.81) MMP2MMP13MMP14MMP12ADAMTS4
SCHEMBL3603710 0.90 MMP2 (0.81) MMP2MMP13MMP14MMP12ADAMTS4
SCHEMBL27593737 0.90 MMP2 (0.81) MMP2MMP13MMP14MMP12ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed