SCHEMBL3101995

SCHEMBL3101995

Cc1ccccc1Cc1nc(CO)nn1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.45
CA9 Q16790 13/20 0.45
CA1 P00915 12/20 0.45
PTGS2 P35354 5/20 0.43
CA12 O43570 1/20 0.43
PTGS1 P23219 2/20 0.43
CA4 P22748 1/20 0.41

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
SCHEMBL3234915 0.90 CA9 (0.47) CA2CA9CA1CA12CA4
SCHEMBL3118231 0.87 CA2 (0.41) CA2CA9CA1PTGS2CA12
SCHEMBL3113018 0.84 CA1 (0.51) CA2CA9CA1PTGS2CA12
SCHEMBL3109205 0.83 CA2 (0.41) CA2CA9CA1PTGS2CA12
SCHEMBL3114880 0.81 CA1 (0.47) CA2CA9CA1PTGS2PTGS1
SCHEMBL13099890 0.80 PTGS2 (0.37) CA2CA9CA1PTGS2CA12
SCHEMBL3107861 0.78 CA1 (0.45) CA2CA9CA1PTGS2CA12
SCHEMBL3118462 0.78 CA1 (0.40) CA2CA9CA1PTGS2CA12
SCHEMBL3102018 0.76 PTGS2 (0.45) CA2CA9CA1PTGS2CA12
SCHEMBL3113410 0.76 CA9 (0.47) CA2CA9CA1PTGS2CA12

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 CA2 1/4885CA9 3/4885CA1 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.