SCHEMBL695762

SCHEMBL695762

FC(F)(F)c1ccc(Oc2ccccc2)cc1CBr

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
LTA4H P09960 3/20 0.39
TSHR P16473 1/20 0.39
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
MGLL Q99685 1/20 0.38
AR P10275 6/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
ESR2 Q92731 1/20 0.38
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SCN9A Q15858 2/20 0.38
IDO1 P14902 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL695601 0.90 EPHX2 (0.42) PDK2LTA4HTSHRNR1H2NR1H3
SCHEMBL696462 0.84 LTA4H (0.49) PDK2LTA4HTSHRNR1H2NR1H3
SCHEMBL758543 0.81 AR (0.41) ARIDO1
SCHEMBL11383668 0.78 LTA4H (0.43) LTA4HTSHRNR1H2MAOB
SCHEMBL28534453 0.78 LTA4H (0.44) PDK2LTA4HTSHRNR1H2NR1H3
SCHEMBL2291189 0.76 LTA4H (0.44) LTA4HTSHRNR1H2MAOB
SCHEMBL1846822 0.76 CAMK2A (0.45) LTA4HTSHRNR1H2MAOB
SCHEMBL694728 0.75 LTA4H (0.50) PDK2LTA4HNR1H2NR1H3MGLL
SCHEMBL506626 0.75 LTA4H (0.43) LTA4HTSHRNR1H2MAOB
SCHEMBL10836783 0.75 PGR (0.43) LTA4HTSHRNR1H2PGRMAOB

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 PDK2 1497/4885LTA4H 484/4885TSHR 3152/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 PDK2 1191/4885LTA4H 16/4885TSHR 4136/4885

“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.