SCHEMBL3111971

SCHEMBL3111971

CCOC(=O)c1nc(Cc2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2F)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.48
CA9 Q16790 6/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 2/20 0.44
CA12 O43570 2/20 0.41
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PTGS2 P35354 3/20 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
SCHEMBL3115267 0.93 CHRNA7 (0.47) CHRNA7CA9CA1CA2CA4
SCHEMBL3113791 0.93 CA9 (0.45) CHRNA7CA9CA1CA2CA4
SCHEMBL3109445 0.92 PTGS2 (0.49) CHRNA7CA9CA1CA2CA4
SCHEMBL14292331 0.86 CA1 (0.46) CA9CA1CA2CA4CA12
SCHEMBL3109323 0.86 PTGS2 (0.43) CHRNA7CA9CA1CA2CA4
SCHEMBL3100706 0.85 CHRNA7 (0.43) CHRNA7CA9CA1CA2CA4
SCHEMBL13099887 0.85 PTGS2 (0.43) CHRNA7CA9CA1CA2CA4
SCHEMBL3108029 0.85 CA2 (0.43) CHRNA7CA9CA1CA2CA4
SCHEMBL3109217 0.84 CHRNA7 (0.42) CHRNA7CA9CA1CA2CA4
SCHEMBL3100103 0.83 CA9 (0.43) CHRNA7CA9CA1CA2CA4

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 CHRNA7 3165/4885CA9 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.