SCHEMBL3112966

SCHEMBL3112966

NS(=O)(=O)c1ccc(-n2nc(CNCC3CCCCC3)nc2Cc2ccccc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.39
CA1 P00915 5/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
PTGS2 P35354 4/20 0.38
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PTGS1 P23219 2/20 0.35
EPHX2 P34913 2/20 0.35
LDHA P00338 3/20 0.34
VCP P55072 2/20 0.34
MEN1 O00255 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN11 Q06124 1/20 0.34
PDPK1 O15530 1/20 0.33
NPY5R Q15761 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
SCHEMBL3115860 0.92 CA2 (0.40) CA2CA1CA7PTGS2CA12
SCHEMBL3261038 0.91 NPC1 (0.38) CA2CA1CA5ACA7CA5B
SCHEMBL13100415 0.88 CA1 (0.38) CA2CA1CA5ACA7CA5B
SCHEMBL13100427 0.88 CA1 (0.38) CA2CA1CA5ACA7CA5B
SCHEMBL13100422 0.86 CA1 (0.45) CA2CA1CA5ACA7CA5B
SCHEMBL3111492 0.86 PTGS2 (0.45) CA2CA1CA7PTGS2CA12
SCHEMBL13100409 0.85 CA1 (0.38) CA2CA1CA5ACA7CA5B
SCHEMBL13100418 0.84 CA1 (0.47) CA2CA1CA5ACA7CA5B
SCHEMBL13109144 0.84 CA1 (0.43) CA2CA1CA5ACA7CA5B
SCHEMBL3111463 0.83 CA1 (0.40) 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 3 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
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.