SCHEMBL3113178

SCHEMBL3113178

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.55
CA2 P00918 13/20 0.55
CA9 Q16790 9/20 0.55
CA12 O43570 5/20 0.55
CA4 P22748 4/20 0.55
CA7 P43166 6/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PTGS2 P35354 4/20 0.46
PTGS1 P23219 2/20 0.45
CHRNA7 P36544 1/20 0.45

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
SCHEMBL3109487 0.87 CA1 (0.51) CA1CA2CA9CA12CA4
SCHEMBL3108950 0.84 CA1 (0.51) CA1CA2CA9CA12CA4
SCHEMBL3118228 0.82 CA1 (0.46) CA1CA2CA9CA12PTGS2
SCHEMBL3226257 0.80 CA1 (0.49) CA1CA2CA9CA12CA4
SCHEMBL5206224 0.77 PTGS2 (0.60) CA1CA2CA9CA12CA4
SCHEMBL13099818 0.74 PTGS2 (0.52) CA1CA2CA9CA12PTGS2
SCHEMBL3105858 0.72 CA1 (0.53) CA1CA2CA9CA12PTGS2
SCHEMBL5202701 0.71 CA1 (0.53) CA1CA2CA9CA4CA7
SCHEMBL3107325 0.71 PTGS2 (0.38) CA1CA2CA9CA12CA7
SCHEMBL3108487 0.70 CHRNA7 (0.43) CA1CA2CA9CA12CA4

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 4 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
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 WO 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 1/4885CA9 3/4885

“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.