SCHEMBL3110396

SCHEMBL3110396

NS(=O)(=O)c1ccc(-n2nc(CN3CC=CCC3)nc2Cc2ccccc2Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
SOS1 Q07889 12/20 0.35
CA7 P43166 1/20 0.34
PTGS2 P35354 2/20 0.32

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
SCHEMBL13099901 0.93 CA2 (0.42) CA1CA2CA12CA9CA7
SCHEMBL3111695 0.91 CA2 (0.44) CA1CA2CA12CA9SOS1
SCHEMBL3105848 0.91 MAOA (0.42) CA1CA2CA12CA9SOS1
SCHEMBL3102126 0.91 CA1 (0.42) CA1CA2CA12CA9SOS1
SCHEMBL3117558 0.89 CA1 (0.45) CA1CA2CA12CA9SOS1
SCHEMBL3100267 0.88 CA1 (0.37) CA1CA2CA12CA9CA7
SCHEMBL3113567 0.88 PTGS2 (0.37) CA1CA2CA12CA9SOS1
SCHEMBL3104772 0.87 CA1 (0.40) CA1CA2CA12CA9SOS1
SCHEMBL3104587 0.87 CA1 (0.39) CA1CA2CA12CA9SOS1
SCHEMBL13099903 0.86 CA2 (0.41) CA1CA2CA12CA9CA7

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 1/4885CA12 8/4885

“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.