SCHEMBL13100416

SCHEMBL13100416

CC(C)CCNCc1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.38
CA1 P00915 10/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
KCNH2 Q12809 2/20 0.36
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
CA4 P22748 1/20 0.35
PTGS2 P35354 3/20 0.35
RORC P51449 2/20 0.35
PDPK1 O15530 1/20 0.34

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
SCHEMBL13100438 0.90 CA1 (0.37) CA2CA1CA5ACA7CA5B
SCHEMBL13100418 0.89 CA1 (0.47) CA2CA1CA5ACA7CA5B
SCHEMBL13100422 0.88 CA1 (0.45) CA2CA1CA5ACA7CA5B
SCHEMBL13109144 0.87 CA1 (0.43) CA2CA1CA5ACA7CA5B
SCHEMBL13100407 0.87 CA1 (0.37) CA2CA1CA5ACA7CA5B
SCHEMBL13100414 0.86 CA1 (0.48) CA2CA1CA5ACA7CA5B
SCHEMBL3113943 0.86 CA1 (0.38) CA2CA1CA5ACA7CA5B
SCHEMBL3114781 0.86 CA1 (0.39) CA2CA1CA5ACA7CA5B
SCHEMBL13100423 0.85 CA1 (0.40) CA2CA1CA5ACA7CA5B
SCHEMBL13100421 0.85 DRD4 (0.38) CA2CA1CA5ACA7CA5B

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 7/4885CA5A 11/4885

“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.