SCHEMBL1463224

SCHEMBL1463224

CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)cc(C1=CCCCC1)n2S(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
PTGS1 P23219 2/20 0.35
SCN9A Q15858 13/20 0.34
PDPK1 O15530 2/20 0.33
GRIA2 P42262 1/20 0.33

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
SCHEMBL1462754 0.79 SCN9A (0.35) PTGS2PTGS1SCN9AGRIA2
SCHEMBL1463227 0.78 SCN9A (0.36) PTGS2PTGS1SCN9AGRIA2
SCHEMBL1460060 0.77 CYP2C9 (0.37) PTGS2PTGS1SCN9A
SCHEMBL1463766 0.77 SCN9A (0.40) PTGS2PTGS1SCN9A
SCHEMBL1459990 0.75 PTGS2 (0.39) PTGS2PTGS1SCN9APDPK1
SCHEMBL27878706 0.74 PTGS2 (0.34) PTGS2PTGS1SCN9APDPK1
SCHEMBL18853892 0.74 PTGS2 (0.46) PTGS2PTGS1SCN9AGRIA2
SCHEMBL1463695 0.73 SCN9A (0.40) PTGS2PTGS1SCN9APDPK1
SCHEMBL12826525 0.72 GRIA2 (0.36) PTGS2PTGS1SCN9APDPK1GRIA2
SCHEMBL1459991 0.66 SLC2A1 (0.37) SCN9A

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 7 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 claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
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 PTGS2 876/4885PTGS1 656/4885SCN9A 408/4885

“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.