SCHEMBL3115256

SCHEMBL3115256

CCNCc1nc(Cc2cccc(Br)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
CA2 P00918 11/20 0.39
CA1 P00915 10/20 0.39
CA9 Q16790 7/20 0.39
CA12 O43570 4/20 0.38
PTGS1 P23219 1/20 0.37
CA4 P22748 1/20 0.37
PDPK1 O15530 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL3113410 0.85 CA9 (0.47) PTGS2CA2CA1CA9CA12
SCHEMBL3114850 0.84 PTGS2 (0.40) PTGS2CA2CA1CA9CA12
SCHEMBL3104628 0.84 PTGS2 (0.41) PTGS2CA2CA1CA9CA12
SCHEMBL3107267 0.81 PDPK1 (0.37) PTGS2CA2CA1CA9CA12
SCHEMBL3107073 0.79 PTGS2 (0.42) PTGS2CA2CA1CA9CA12
SCHEMBL3115250 0.77 PTGS2 (0.39) PTGS2CA2CA1CA9CA12
SCHEMBL3106350 0.77 CA1 (0.56) PTGS2CA2CA1CA9CA12
SCHEMBL3117455 0.76 PDPK1 (0.46) PTGS2CA2CA1CA9CA12
SCHEMBL3114880 0.75 CA1 (0.47) PTGS2CA2CA1CA9PTGS1
SCHEMBL3110319 0.74 PTGS2 (0.45) PTGS2CA2CA1CA9CA12

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 47/4885CA2 1/4885CA1 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.