SCHEMBL3108950

SCHEMBL3108950

COc1ccc(CNCc2nc(Cc3ccccc3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.51
CA2 P00918 14/20 0.51
CA7 P43166 5/20 0.51
CA4 P22748 3/20 0.51
CA9 Q16790 8/20 0.49
CA12 O43570 6/20 0.49
PTGS2 P35354 2/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL3226257 0.93 CA1 (0.49) CA1CA2CA7CA4CA9
SCHEMBL3113178 0.84 CA1 (0.55) CA1CA2CA7CA4CA9
SCHEMBL3106233 0.83 PTGS2 (0.47) CA1CA2CA7CA4CA9
SCHEMBL3109962 0.83 CA2 (0.48) CA1CA2CA9CA12PTGS2
SCHEMBL3105400 0.82 PTGS2 (0.45) CA1CA2CA7CA4CA9
SCHEMBL3106885 0.82 PTGS2 (0.45) CA1CA2CA7CA4CA9
SCHEMBL13099967 0.81 PTGS2 (0.51) CA1CA2CA7CA4CA9
SCHEMBL3106373 0.81 PTGS2 (0.48) CA1CA2CA7CA4CA9
SCHEMBL3098272 0.81 CA2 (0.47) CA1CA2CA7CA4CA9
SCHEMBL3111561 0.81 PTGS2 (0.46) CA1CA2CA7CA4CA9

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.