SCHEMBL13100415

SCHEMBL13100415

NS(=O)(=O)c1ccc(-n2nc(CNC3CCCCCC3)nc2Cc2ccccc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA7 P43166 2/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PTGS2 P35354 8/20 0.37
EPHX2 P34913 3/20 0.37
PTGS1 P23219 3/20 0.37
CA9 Q16790 4/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
FABP6 P51161 1/20 0.34
CA12 O43570 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
PDPK1 O15530 1/20 0.34
POLB P06746 2/20 0.33
NMT1 P30419 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL13100427 1.00 CA1 (0.38) CA1CA2CA7CA5ACA5B
SCHEMBL3108471 0.91 LMNA (0.39) CA1CA2PTGS2CA9KDM4E
SCHEMBL13100435 0.90 CA1 (0.38) CA1CA2CA7CA5ACA5B
SCHEMBL13100409 0.88 CA1 (0.38) CA1CA2CA7CA5ACA5B
SCHEMBL3112966 0.88 CA2 (0.39) CA1CA2CA7CA5ACA5B
SCHEMBL13109144 0.85 CA1 (0.43) CA1CA2CA7CA5ACA5B
SCHEMBL13100422 0.84 CA1 (0.45) CA1CA2CA7CA5ACA5B
SCHEMBL13100424 0.84 CA1 (0.35) CA1CA2CA7CA5ACA5B
SCHEMBL13100429 0.84 PTGS2 (0.35) CA1CA2CA7CA5ACA5B
SCHEMBL13099895 0.83 PTGS2 (0.36) CA1CA2CA7CA5ACA5B

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 CA1 7/4885CA2 1/4885CA7 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.