SCHEMBL3115473

SCHEMBL3115473

COCCCNCc1nc(Cc2ccc(C)cc2)n(-c2ccc(S(N)(=O)=O)cc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.41
CA4 P22748 3/20 0.41
SCN8A Q9UQD0 1/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA9 Q16790 4/20 0.37
PTGS2 P35354 2/20 0.37
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3104787 0.91 CA2 (0.40) CA2CA4SCN8ACA1PTGS2
SCHEMBL3115500 0.90 CA2 (0.41) CA2CA4SCN8APTGS2POLB
SCHEMBL3106717 0.87 CA2 (0.42) CA2CA4SCN8ACA12CA1
SCHEMBL13099931 0.82 PTGS2 (0.38) CA2CA12CA1CA9PTGS2
SCHEMBL3109090 0.82 PTGS2 (0.34) CA2SCN8ACA12CA1CA9
SCHEMBL13100421 0.81 DRD4 (0.38) CA2CA4CA12CA1CA9
SCHEMBL3095873 0.81 CA2 (0.41) CA2CA4CA12CA1CA9
SCHEMBL3117149 0.81 PTGS2 (0.33) CA2SCN8ACA12CA1CA9
SCHEMBL13100438 0.81 CA1 (0.37) CA2CA4CA12CA1CA9
SCHEMBL13100419 0.80 CA1 (0.49) CA2CA4CA12CA1CA9

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 1 patent. 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

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 CA2 1/4885CA4 4/4885SCN8A 827/4885

“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.