SCHEMBL3112892

SCHEMBL3112892

NS(=O)(=O)c1ccc(-n2nc(CN3CC=CCC3)nc2Cc2cccc(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA7 P43166 5/20 0.44
CA9 Q16790 4/20 0.44
CA12 O43570 3/20 0.44
PTGS2 P35354 8/20 0.39
PTGS1 P23219 4/20 0.38
AVPR1B P47901 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
CA4 P22748 2/20 0.35
CHRNA7 P36544 1/20 0.35
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3110282 0.90 PTGS2 (0.39) CA1CA2CA7CA9CA12
SCHEMBL3115250 0.90 PTGS2 (0.39) CA1CA2CA7CA9CA12
SCHEMBL3114770 0.90 PTGS2 (0.39) CA1CA2CA7CA9CA12
SCHEMBL3111518 0.89 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL3111507 0.89 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL3109234 0.88 CA1 (0.36) CA1CA2CA7CA9CA12
SCHEMBL3098291 0.87 ADORA2A (0.39) CA1CA2CA7CA9CA12
SCHEMBL3112965 0.87 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL3115566 0.85 CA1 (0.35) CA1CA2CA7CA9CA12
SCHEMBL3103774 0.84 PTGS2 (0.37) CA1CA2CA7CA9CA12

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 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.