SCHEMBL3109487

SCHEMBL3109487

Cc1nc(CNCc2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.51
CA2 P00918 13/20 0.51
CA12 O43570 4/20 0.51
CA4 P22748 3/20 0.51
CA7 P43166 5/20 0.48
CA9 Q16790 5/20 0.47
PTGS2 P35354 2/20 0.45
KDR P35968 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CHRNA7 P36544 2/20 0.43

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
SCHEMBL3113178 0.87 CA1 (0.55) CA1CA2CA12CA4CA7
SCHEMBL3118228 0.83 CA1 (0.46) CA1CA2CA12CA9PTGS2
SCHEMBL3108487 0.78 CHRNA7 (0.43) CA1CA2CA12CA4CA7
SCHEMBL5205568 0.76 PTGS2 (0.62) CA1CA2CA12CA4CA7
SCHEMBL13099818 0.76 PTGS2 (0.52) CA1CA2CA12CA9PTGS2
SCHEMBL3104492 0.76 PTGS2 (0.47) CA1CA2CA12CA4CA7
SCHEMBL3105858 0.74 CA1 (0.53) CA1CA2CA12CA9PTGS2
SCHEMBL3107325 0.73 PTGS2 (0.38) CA1CA2CA12CA7CA9
SCHEMBL3108950 0.72 CA1 (0.51) CA1CA2CA12CA4CA7
SCHEMBL3118387 0.71 PTGS2 (0.37) CA1CA2CA12CA4CA7

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 CA1 7/4885CA2 1/4885CA12 8/4885

“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.