SCHEMBL3105253

SCHEMBL3105253

CCN(C)Cc1nc(Cc2cc(F)cc(F)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.40
PTGS2 P35354 11/20 0.39
PTGS1 P23219 5/20 0.39
PDPK1 O15530 3/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL3112774 0.91 PTGS2 (0.42) CHRNA7PTGS2PTGS1PDPK1CA1
SCHEMBL3106688 0.87 CA1 (0.46) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL3102018 0.83 PTGS2 (0.45) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL3108487 0.81 CHRNA7 (0.43) CHRNA7PTGS2PTGS1PDPK1CA1
SCHEMBL3109151 0.77 CA1 (0.43) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL3105386 0.77 CA1 (0.44) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL3098368 0.77 CA1 (0.44) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL13100236 0.76 CA1 (0.44) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL13100239 0.76 PDPK1 (0.42) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL3117455 0.75 PDPK1 (0.46) PTGS2PTGS1PDPK1CA1CA2

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 CHRNA7 3165/4885PTGS2 47/4885PTGS1 44/4885

“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.