SCHEMBL1461086

SCHEMBL1461086

Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.43
STIM1 Q13586 1/20 0.43
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
PTGES O14684 2/20 0.36
TRPA1 O75762 1/20 0.36
RXRA P19793 2/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
FFAR1 O14842 1/20 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
SCHEMBL1459900 0.93 STIM1 (0.47) ORAI1STIM1ALOX5PTGS1PTGS2
SCHEMBL1458835 0.87 SCN9A (0.38) ORAI1STIM1PTGESTRPA1RXRA
SCHEMBL1459782 0.85 PDPK1 (0.43) ORAI1STIM1ALOX5PTGS1PTGS2
SCHEMBL1459130 0.85 PTGS2 (0.41) ORAI1STIM1ALOX5PTGS1PTGS2
SCHEMBL1459968 0.85 FFAR1 (0.40) ORAI1STIM1ALOX5PTGS1PTGS2
SCHEMBL15020867 0.84 ORAI1 (0.55) ORAI1STIM1ALOX5PTGS1PTGS2
SCHEMBL1463443 0.83 STIM1 (0.44) ORAI1STIM1ALOX5PTGS1PTGS2
SCHEMBL15021817 0.83 TRPV3 (0.39) ORAI1STIM1ALOX5PTGS1PTGS2
SCHEMBL1460026 0.82 ORAI1 (0.38) ORAI1PTGES
SCHEMBL1459631 0.82 HSD11B1 (0.39) ORAI1STIM1ALOX5PTGS1PTGS2

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 9 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
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 ORAI1 1/4885STIM1 61/4885ALOX5 1115/4885

“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.