SCHEMBL1463695

SCHEMBL1463695

CCn1nc(C(F)(F)F)cc1-c1ccc2c(c[c]n2S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PDPK1 O15530 1/20 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
SCHEMBL1463766 0.76 SCN9A (0.40) SCN9APTGS1PTGS2
SCHEMBL1462754 0.74 SCN9A (0.35) SCN9APTGS1PTGS2
SCHEMBL1463224 0.73 PTGS2 (0.44) SCN9APTGS1PTGS2PDPK1
SCHEMBL1460060 0.73 CYP2C9 (0.37) SCN9APTGS1PTGS2
SCHEMBL1463227 0.71 SCN9A (0.36) SCN9APTGS1PTGS2
SCHEMBL13698767 0.67 PTGS1 (0.58) SCN9APTGS1PTGS2PDPK1
SCHEMBL1462760 0.67 GRM2 (0.38) SCN9A
SCHEMBL1463382 0.66 GRIA2 (0.36) SCN9APTGS1PTGS2
SCHEMBL1459991 0.65 SLC2A1 (0.37) SCN9A
SCHEMBL30426881 0.65 HDAC3 (0.42) SCN9APTGS2

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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E SCN9A 408/4885PTGS1 656/4885PTGS2 876/4885

“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.