SCHEMBL30951950

SCHEMBL30951950

COc1ccc(CN2C(=O)C(O)(c3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.76
CHRM5 P08912 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
OPRL1 P41146 1/20 0.48
MMP12 P39900 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48

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
SCHEMBL30951949 1.00 SCN9A (0.76) SCN9ACHRM5CA12CA1CA2
SCHEMBL30951963 0.87 SCN9A (0.57) SCN9ACHRM5
SCHEMBL30951993 0.86 SCN9A (0.62) SCN9ACA12CA1CA2CA9
SCHEMBL30951997 0.86 SCN9A (0.62) SCN9ACA12CA1CA2CA9
SCHEMBL30951988 0.86 SCN9A (0.60) SCN9ACA12CA1CA2CA9
SCHEMBL20988966 0.86 SCN9A (0.83) SCN9ACHRM5
SCHEMBL4597672 0.86 SCN9A (1.00) SCN9ACHRM5OPRL1
SCHEMBL30951961 0.86 SCN9A (0.55) SCN9ACHRM5CA12CA1CA2
SCHEMBL30951992 0.84 SCN9A (0.56) SCN9ACA12CA1CA2CA9
SCHEMBL30951998 0.83 SCN9A (0.56) SCN9A

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-4630401-A2 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF Rutgers, the State University of New Jersey (US) 2025-10-15 EP disclosed
WO-2024124023-A2 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-06-13 WO disclosed