SCHEMBL1463382

SCHEMBL1463382

CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC(C1CCCCC1)N2S(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.36
SCN9A Q15858 17/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35

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
SCHEMBL12826525 0.79 GRIA2 (0.36) GRIA2SCN9APTGS1PTGS2
SCHEMBL12745810 0.77 GRIA2 (0.36) GRIA2SCN9APTGS1PTGS2
SCHEMBL12745806 0.74 GRIA2 (0.34) GRIA2SCN9APTGS1PTGS2
SCHEMBL1462754 0.72 SCN9A (0.35) GRIA2SCN9APTGS1PTGS2
SCHEMBL1463227 0.66 SCN9A (0.36) GRIA2SCN9APTGS1PTGS2
SCHEMBL1463695 0.66 SCN9A (0.40) SCN9APTGS1PTGS2
SCHEMBL1462760 0.66 GRM2 (0.38) SCN9A
SCHEMBL1460246 0.65 GRIA1 (0.34) GRIA2SCN9A
SCHEMBL1459298 0.65 PRMT5 (0.36) SCN9APTGS1PTGS2
SCHEMBL1459103 0.65 GRIA1 (0.53)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
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 GRIA2 400/4885SCN9A 408/4885PTGS1 656/4885

“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.