SCHEMBL1460060

SCHEMBL1460060

CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)cc(-c1ccncc1C)n2S(=O)(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
CNR1 P21554 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN9A Q15858 16/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE2A O00408 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL1463224 0.77 PTGS2 (0.44) SCN9APTGS1PTGS2
SCHEMBL1463766 0.77 SCN9A (0.40) SCN9APTGS1PTGS2
SCHEMBL1460270 0.75 MMP13 (0.43) CYP2C9CNR1CYP2C19SCN9A
SCHEMBL1462754 0.75 SCN9A (0.35) SCN9APTGS1PTGS2
SCHEMBL1463695 0.73 SCN9A (0.40) SCN9APTGS1PTGS2
SCHEMBL1463227 0.72 SCN9A (0.36) SCN9APTGS1PTGS2
SCHEMBL15020471 0.71 CYP2C9 (0.37) CYP2C9CNR1CYP2C19SCN9A
SCHEMBL1460337 0.70 CLK2 (0.40) CYP11B1CYP11B2PTGS2
SCHEMBL1460041 0.68 CYP3A4 (0.37) CYP2C9CNR1CYP2C19SCN9A
SCHEMBL30096512 0.66 PTGS2 (0.52) CYP2C9CYP2C19SCN9ACYP11B1CYP11B2

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
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
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
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 CYP2C9 2005/4885CNR1 75/4885CYP2C19 1518/4885

“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.