SCHEMBL3098615

SCHEMBL3098615

CCNC(=O)c1cc(S(N)(=O)=O)ccc1-n1nc(C(=O)OCC)cc1C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.51
CHRNA7 P36544 2/20 0.49
CA2 P00918 6/20 0.45
CA4 P22748 3/20 0.45
HTT P42858 1/20 0.40
CA12 O43570 5/20 0.40
CA1 P00915 2/20 0.40
PTGS2 P35354 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3114697 0.91 CA2 (0.49) CA9CA2CA4HTTPTGS2
SCHEMBL3115632 0.89 CA9 (0.53) CA9CHRNA7CA2CA4CA12
SCHEMBL3096202 0.87 CA9 (0.57) CA9CHRNA7CA2HTTCA12
SCHEMBL3102832 0.85 CA2 (0.43) CA9CA2CA4HTTPTGS2
SCHEMBL13100012 0.83 CA2 (0.41) CA9CHRNA7CA2CA4HTT
SCHEMBL3113061 0.82 CA4 (0.53) CA2CA4CA12CA1PTGS2
SCHEMBL3102148 0.82 PTGS2 (0.53) CA2CA4PTGS2
SCHEMBL3109959 0.82 CA2 (0.49) CA2CA4CA12CA1MEN1
SCHEMBL3101600 0.79 CA9 (0.72) CA9CHRNA7CA2CA4CA12
SCHEMBL14292740 0.76 CA4 (0.54) CA9CA2CA4CA12CA1

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 CA9 3/4885CHRNA7 3165/4885CA2 1/4885

“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.