SCHEMBL3098368

SCHEMBL3098368

CN(CCc1ccccc1)Cc1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.44
CA2 P00918 15/20 0.44
PDPK1 O15530 1/20 0.42
CA9 Q16790 4/20 0.41
CA7 P43166 4/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CA12 O43570 8/20 0.39
CA4 P22748 6/20 0.39
PTGS2 P35354 3/20 0.39
CA14 Q9ULX7 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS1 P23219 1/20 0.38

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
SCHEMBL3105386 0.92 CA1 (0.44) CA1CA2PDPK1CA9CA7
SCHEMBL13100236 0.91 CA1 (0.44) CA1CA2PDPK1CA9CA12
SCHEMBL3109151 0.90 CA1 (0.43) CA1CA2PDPK1CA9CA12
SCHEMBL13100227 0.90 CYP2D6 (0.41) CA1CA2PDPK1CA9CA7
SCHEMBL3106688 0.90 CA1 (0.46) CA1CA2PDPK1CA9CA7
SCHEMBL3106371 0.89 CACNA1G (0.41) CA1CA2PDPK1CA9CA7
SCHEMBL3102008 0.86 SMO (0.41) CA1CA2CA9CA7CA5A
SCHEMBL13100244 0.85 CA1 (0.40) CA1CA2PDPK1CA9CA12
SCHEMBL3108992 0.85 CA1 (0.37) CA1CA2PDPK1CA9CA7
SCHEMBL13100240 0.84 CA1 (0.45) CA1CA2PDPK1CA9CA7

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 4 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
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 1/4885PDPK1 2124/4885

“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.