SCHEMBL3112808

SCHEMBL3112808

Cc1cc(C(=O)O)nn1-c1ccc(S(N)(=O)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
ALOX5 P09917 2/20 0.46
PTGS1 P23219 2/20 0.46
CHRNA7 P36544 2/20 0.44
UBE2T Q9NPD8 1/20 0.40
HTT P42858 1/20 0.40
CA9 Q16790 5/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 2/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3107305 0.89 CHRNA7 (0.44) PTGS2ALOX5PTGS1CHRNA7UBE2T
SCHEMBL3111574 0.86 BAZ2B (0.45) PTGS2CHRNA7UBE2THTTCA9
SCHEMBL3106812 0.86 CHRNA7 (0.42) PTGS2ALOX5PTGS1CHRNA7UBE2T
SCHEMBL3103020 0.84 CA9 (0.55) PTGS2CHRNA7CA9CA1CA2
SCHEMBL3100167 0.82 L3MBTL1 (0.47) PTGS2CHRNA7CA9CA1CA2
SCHEMBL3117397 0.81 PTGS2 (0.58) PTGS2ALOX5PTGS1CHRNA7CA9
SCHEMBL3106038 0.81 PTGS2 (0.58) PTGS2CHRNA7CA9CA1CA2
SCHEMBL15180440 0.81 ALDH1A1 (0.43) UBE2THTTALDH1A1KMT2A
SCHEMBL15167339 0.75 CNR1 (0.51) CHRNA7HTTALDH1A1L3MBTL1KMT2A
SCHEMBL13108854 0.74 PTGS2 (0.39) PTGS2PTGS1CHRNA7UBE2THTT

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 6 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
EP-2051966-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE Pfizer Products Inc. (US) 2009-04-29 EP disclosed
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 WO 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 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.