SCHEMBL3102947

SCHEMBL3102947

NS(=O)(=O)c1ccc(-n2nc(CN3CC=CCC3)nc2Cc2ccccc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.37
PTGS1 P23219 6/20 0.37
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PDPK1 O15530 1/20 0.33
LMNA P02545 1/20 0.33
CA4 P22748 1/20 0.33
KDR P35968 1/20 0.33
CA7 P43166 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
SCHEMBL3107692 0.92 PTGS2 (0.36) PTGS2CA1CA2CA12CA9
SCHEMBL13099890 0.89 PTGS2 (0.37) PTGS2PTGS1CA1CA2CA12
SCHEMBL3103774 0.89 PTGS2 (0.37) PTGS2PTGS1CA1CA2CA12
SCHEMBL13099901 0.89 CA2 (0.42) PTGS2PTGS1CA1CA2CA12
SCHEMBL3111507 0.87 CA1 (0.43) PTGS2CA1CA2CA12CA9
SCHEMBL3104565 0.85 CA1 (0.41) PTGS2PTGS1CA1CA2CA12
SCHEMBL3112965 0.85 CA1 (0.39) PTGS2PTGS1CA1CA2CA12
SCHEMBL3115566 0.84 CA1 (0.35) PTGS2PTGS1CA1CA2CA12
SCHEMBL3101694 0.84 CA1 (0.40) PTGS2PTGS1CA1CA2CA12
SCHEMBL3110282 0.84 PTGS2 (0.39) PTGS2PTGS1CA1CA2CA12

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 PTGS2 47/4885PTGS1 44/4885CA1 7/4885

“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.