SCHEMBL13100397

SCHEMBL13100397

NS(=O)(=O)c1ccc(-n2nc(CN[C@H](CO)Cc3ccccc3)nc2Cc2ccccc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.39
CA1 P00915 8/20 0.39
CA7 P43166 2/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CA9 Q16790 4/20 0.36
CA12 O43570 3/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CA4 P22748 1/20 0.34
PDPK1 O15530 1/20 0.34
PTGS2 P35354 4/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3114781 0.85 CA1 (0.39) CA2CA1CA7CA5ACA5B
SCHEMBL13109144 0.84 CA1 (0.43) CA2CA1CA7CA5ACA5B
SCHEMBL3116933 0.84 CA2 (0.44) CA2CA1CA7CA5ACA5B
SCHEMBL13100428 0.84 MEN1 (0.40) CA2CA1CA7CA5ACA5B
SCHEMBL13100422 0.84 CA1 (0.45) CA2CA1CA7CA5ACA5B
SCHEMBL13100396 0.83 CA1 (0.38) CA2CA1CA7CA5ACA5B
SCHEMBL13100406 0.83 CA1 (0.38) CA2CA1CA7CA5ACA5B
SCHEMBL13100434 0.83 CA1 (0.37) CA2CA1CA7CA5ACA5B
SCHEMBL13100439 0.82 PTGS2 (0.38) CA2CA1CA7CA5ACA5B
SCHEMBL13100418 0.81 CA1 (0.47) CA2CA1CA7CA5ACA5B

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
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 CA2 1/4885CA1 7/4885CA7 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.