SCHEMBL3104796

SCHEMBL3104796

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.51
PTGS2 P35354 6/20 0.49
CA9 Q16790 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MALT1 Q9UDY8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL3117397 0.85 PTGS2 (0.58) CHRNA7PTGS2CA9CA12CA1
SCHEMBL3106812 0.83 CHRNA7 (0.42) CHRNA7PTGS2CA9CA12CA1
SCHEMBL3098478 0.82 CHRNA7 (0.51) CHRNA7PTGS2CA9CA12CA1
SCHEMBL5698701 0.80 MALT1 (0.80) CHRNA7PTGS2MALT1SMN1; SMN2PTGS1
SCHEMBL3101600 0.80 CA9 (0.72) CHRNA7PTGS2CA9CA12CA1
SCHEMBL3109266 0.79 PTGS2 (0.52) CHRNA7PTGS2CA9CA12CA1
SCHEMBL5698738 0.77 PTGS2 (0.65) PTGS2CA9CA12CA1CA2
SCHEMBL3103871 0.75 CA1 (0.50) PTGS2CA9CA12CA1CA2
SCHEMBL17054312 0.75 MALT1 (0.49) MALT1
SCHEMBL3102280 0.74 PTGS2 (0.63) PTGS2CA9CA1CA2PTGS1

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 5 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

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 CHRNA7 3165/4885PTGS2 47/4885CA9 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.