SCHEMBL3104772

SCHEMBL3104772

NS(=O)(=O)c1ccc(-n2nc(CN3CC=CCC3)nc2Cc2ccc(Cl)c(Cl)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
MEN1 O00255 1/20 0.37
PTPN7 P35236 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CA7 P43166 1/20 0.34
SOS1 Q07889 5/20 0.33
OPRK1 P41145 1/20 0.33
HTR6 P50406 1/20 0.33
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
PTGS2 P35354 2/20 0.32

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
SCHEMBL3104587 0.92 CA1 (0.39) CA1CA2CA12CA9CA7
SCHEMBL13099902 0.91 SOS1 (0.35) CA1CA2CA12CA9CA7
SCHEMBL3115563 0.90 CA2 (0.40) CA1CA2CA12CA9CA7
SCHEMBL3109234 0.89 CA1 (0.36) CA1CA2CA12CA9CA7
SCHEMBL3100267 0.88 CA1 (0.37) CA1CA2CA12CA9PTPN7
SCHEMBL3102126 0.88 CA1 (0.42) CA1CA2CA12CA9CA7
SCHEMBL3110396 0.87 CA1 (0.36) CA1CA2CA12CA9CA7
SCHEMBL3105243 0.86 CA2 (0.34) CA1CA2CA12CA9HTT
SCHEMBL3108949 0.86 PTGS2 (0.45) CA1CA2CA12CA9CA7
SCHEMBL3105848 0.86 MAOA (0.42) CA1CA2CA12CA9CA7

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 2 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

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.