SCHEMBL3112965

SCHEMBL3112965

NS(=O)(=O)c1ccc(-n2nc(CN3CC=CCC3)nc2Cc2ccc(F)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
PTGS2 P35354 8/20 0.38
PDPK1 O15530 5/20 0.35
PTGS1 P23219 4/20 0.34
SOS1 Q07889 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 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
SCHEMBL3104565 0.90 CA1 (0.41) CA1CA2PTGS2PDPK1PTGS1
SCHEMBL13099902 0.90 SOS1 (0.35) CA1CA2PTGS2SOS1CA12
SCHEMBL3115566 0.89 CA1 (0.35) CA1CA2PTGS2PDPK1PTGS1
SCHEMBL3110282 0.89 PTGS2 (0.39) CA1CA2PTGS2PDPK1PTGS1
SCHEMBL3111518 0.88 CA1 (0.39) CA1CA2PTGS2PTGS1CA12
SCHEMBL3112892 0.87 CA1 (0.44) CA1CA2PTGS2PTGS1CA12
SCHEMBL3114696 0.86 CA1 (0.41) CA1CA2PTGS2PDPK1PTGS1
SCHEMBL13099891 0.86 CA2 (0.39) CA1CA2PTGS2PDPK1PTGS1
SCHEMBL3111507 0.86 CA1 (0.43) CA1CA2PTGS2PDPK1CA12
SCHEMBL3114770 0.85 PTGS2 (0.39) CA1CA2PTGS2PDPK1PTGS1

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
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 WO 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 1/4885PTGS2 47/4885

“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.