SCHEMBL13100403

SCHEMBL13100403

COC[C@@H](NCc1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2F)n1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
PTGS1 P23219 2/20 0.35
TACR1 P25103 1/20 0.34
APLNR P35414 3/20 0.33
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
NR1I2 O75469 1/20 0.33
SCN1B Q07699 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL13100434 0.91 CA1 (0.37) PTGS2CA1CA2CA5ACA7
SCHEMBL13100439 0.90 PTGS2 (0.38) PTGS2CA1CA2CA5ACA7
SCHEMBL13100428 0.89 MEN1 (0.40) PTGS2CA1CA2CA5ACA7
SCHEMBL3114781 0.86 CA1 (0.39) PTGS2CA1CA2CA5ACA7
SCHEMBL13100396 0.84 CA1 (0.38) PTGS2CA1CA2CA5ACA7
SCHEMBL13100406 0.84 CA1 (0.38) PTGS2CA1CA2CA5ACA7
SCHEMBL13109144 0.84 CA1 (0.43) PTGS2CA1CA2CA5ACA7
SCHEMBL13100407 0.82 CA1 (0.37) PTGS2CA1CA2CA5ACA7
SCHEMBL13100438 0.82 CA1 (0.37) PTGS2CA1CA2CA5ACA7
SCHEMBL13100422 0.81 CA1 (0.45) PTGS2CA1CA2CA5ACA7

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 PTGS2 47/4885CA1 7/4885CA2 1/4885

“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.