SCHEMBL14840773

SCHEMBL14840773

CCS(=O)(=O)c1cc(C)c(-c2ccc3c(c2)OCC(c2c(F)cccc2F)N3)cn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31

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
SCHEMBL14840615 0.83 ABL1 (0.37) STIM1ORAI1
SCHEMBL14840277 0.81 ORAI1 (0.44) STIM1ORAI1ALOX5APFEN1
SCHEMBL14840886 0.80 FEN1 (0.35) STIM1ORAI1ALOX5APFEN1
SCHEMBL14840653 0.78 LTB4R (0.33) STIM1ORAI1ALOX5APFEN1
SCHEMBL14840428 0.76 ORAI1 (0.49) STIM1ORAI1
SCHEMBL14840538 0.76 MAOA (0.38)
SCHEMBL14840526 0.75 LTB4R (0.38)
SCHEMBL14840629 0.75 LTB4R (0.38)
SCHEMBL14840525 0.75 LTB4R (0.38)
SCHEMBL14840530 0.73 LTB4R (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US claimed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO 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-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS RYR2, CACNA1E, RYR1 STIM1 90/4885ORAI1 4/4885ALOX5AP 782/4885

“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.