SCHEMBL30952006

SCHEMBL30952006

COc1ccc(N2C(=O)C(O)(c3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.50
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA4 P22748 5/20 0.43
CA9 Q16790 3/20 0.43
MAPK14 Q16539 1/20 0.43
MT-CO2 P00403 1/20 0.42
ALOX5 P09917 1/20 0.42
PGR P06401 1/20 0.42
CA12 O43570 1/20 0.42
PTGS2 P35354 5/20 0.42
CA7 P43166 3/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PDE5A O76074 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL30951944 0.85 CA2 (0.43) CA1CA2CA4CA9CA12
SCHEMBL30951978 0.83 SCN9A (0.43) SCN9ACA1CA2CA4CA9
SCHEMBL30951949 0.82 SCN9A (0.76) SCN9ACA1CA2CA9CA12
SCHEMBL30951950 0.82 SCN9A (0.76) SCN9ACA1CA2CA9CA12
SCHEMBL30952002 0.78 RECQL (0.46) SCN9ACA1CA2CA4CA9
SCHEMBL30951971 0.75 CNR1 (0.51) SCN9ACA2CA9CA12ALDH1A1
SCHEMBL30951972 0.72 CA2 (0.38) SCN9ACA1CA2CA9CA12
SCHEMBL16155527 0.71 PGR (0.48) SCN9APGRKDM4EALDH1A1GAA
SCHEMBL30951947 0.71 IDO1 (0.39) SCN9ACA1CA2CA4CA9
SCHEMBL30951940 0.71 SCN9A (0.40) SCN9ACA1CA2CA9CA12

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