SCHEMBL696462

SCHEMBL696462

OCc1cc(Oc2ccccc2)ccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
NR1H2 P55055 7/20 0.47
NR1H3 Q13133 6/20 0.47
PDK2 Q15119 1/20 0.42
MAPK14 Q16539 2/20 0.42
SCN9A Q15858 7/20 0.40
BAX Q07812 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL694728 0.89 LTA4H (0.50) LTA4HNR1H2NR1H3PDK2MAPK14
SCHEMBL695762 0.84 PDK2 (0.39) LTA4HNR1H2NR1H3PDK2SCN9A
SCHEMBL11391950 0.78 LTA4H (0.53) LTA4HNR1H2BAXTSHR
SCHEMBL695601 0.77 EPHX2 (0.42) LTA4HNR1H2NR1H3PDK2TSHR
SCHEMBL2093112 0.76 LTA4H (0.55) LTA4HNR1H2BAXTSHR
SCHEMBL876364 0.75 LTA4H (0.47) LTA4HNR1H2NR1H3MAPK14
SCHEMBL6184207 0.75 LTA4H (0.53) LTA4HNR1H2BAXTSHR
SCHEMBL20439168 0.75 LTA4H (0.53) LTA4HNR1H2BAXTSHR
SCHEMBL11255857 0.75 LTA4H (0.53) LTA4HNR1H2NR1H3BAXTSHR
SCHEMBL28534453 0.75 LTA4H (0.44) LTA4HNR1H2NR1H3PDK2BAX

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
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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 (2 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E LTA4H 484/4885NR1H2 1528/4885NR1H3 2115/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 LTA4H 16/4885NR1H2 239/4885NR1H3 259/4885

“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.