SCHEMBL3117397

SCHEMBL3117397

Cc1cc(C(=O)O)nn1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.58
ALOX5 P09917 2/20 0.58
PTGS1 P23219 2/20 0.58
CHRNA7 P36544 5/20 0.54
CA9 Q16790 4/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
KMT2A Q03164 1/20 0.51
CA4 P22748 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3104796 0.85 CHRNA7 (0.51) PTGS2ALOX5PTGS1CHRNA7CA9
SCHEMBL3098478 0.85 CHRNA7 (0.51) PTGS2PTGS1CHRNA7CA9CA1
SCHEMBL3101600 0.83 CA9 (0.72) PTGS2CHRNA7CA9CA1CA2
SCHEMBL5430032 0.82 CA9 (0.74) PTGS2ALOX5PTGS1CHRNA7CA9
SCHEMBL3109266 0.82 PTGS2 (0.52) PTGS2PTGS1CHRNA7CA9CA1
SCHEMBL3112808 0.81 PTGS2 (0.46) PTGS2ALOX5PTGS1CHRNA7CA9
SCHEMBL5698738 0.80 PTGS2 (0.65) PTGS2ALOX5PTGS1CA9CA1
SCHEMBL1259296 0.80 ALDH1A1 (0.64) KMT2A
SCHEMBL3102280 0.80 PTGS2 (0.63) PTGS2PTGS1CA9CA1CA2
SCHEMBL5236666 0.80 RPA1 (0.72) PTGS2ALOX5PTGS1CA9CA1

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 47/4885ALOX5 1987/4885PTGS1 44/4885

“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.