SCHEMBL30951978

SCHEMBL30951978

COc1ccc2c(N3C(=O)C(O)(c4ccc(S(N)(=O)=O)cc4)c4ccccc43)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
IDO1 P14902 1/20 0.39
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA7 P43166 2/20 0.38
CA4 P22748 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
CA9 Q16790 7/20 0.37
CA12 O43570 6/20 0.37
CA14 Q9ULX7 2/20 0.37

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
SCHEMBL30951940 0.85 SCN9A (0.40) SCN9AIDO1CA1CA2CA7
SCHEMBL30951947 0.85 IDO1 (0.39) SCN9AIDO1CA1CA2CA7
SCHEMBL30952006 0.83 SCN9A (0.50) SCN9ACA1CA2CA7CA4
SCHEMBL30951972 0.81 CA2 (0.38) SCN9AIDO1CA1CA2KDM4E
SCHEMBL30951975 0.79 CA12 (0.42) SCN9ACA1CA2CA4ALDH1A1
SCHEMBL30952007 0.79 SCN9A (0.50) SCN9ACA2ALDH1A1CA9CA12
SCHEMBL30951949 0.75 SCN9A (0.76) SCN9ACA1CA2CA9CA12
SCHEMBL30951950 0.75 SCN9A (0.76) SCN9ACA1CA2CA9CA12
SCHEMBL30952002 0.72 RECQL (0.46) SCN9ACA1CA2CA7CA4
SCHEMBL30951944 0.71 CA2 (0.43) CA1CA2CA7CA4MMP2

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