SCHEMBL695791

SCHEMBL695791

O=C(O)c1ccc(Oc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
AKR1C3 P42330 1/20 0.50
SRD5A2 P31213 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.44
MGLL Q99685 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
DHODH Q02127 1/20 0.44
MCL1 Q07820 1/20 0.44
HPSE Q9Y251 1/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PDK2 Q15119 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL8924039 0.90 POLB (0.46) POLBDHODHMCL1L3MBTL1LMNA
SCHEMBL18970462 0.89 MGLL (0.44) POLBAKR1C3MGLLMAPK1GFER
SCHEMBL8921521 0.89 NR1H2 (0.48) POLBAKR1C3DHODHMCL1HPSE
SCHEMBL694237 0.89 POLB (0.53) POLBAKR1C3SRD5A2CYP2C9CYP2C19
SCHEMBL29093106 0.87 AR (0.56) POLBAKR1C3KMT2ADHODHMEN1
SCHEMBL696042 0.86 XDH (0.48) POLBMGLLPDK2TDP1MAPK14
SCHEMBL29140668 0.83 POLB (0.43) POLBAKR1C3SRD5A2DHODHMAPK14
SCHEMBL4410053 0.81 POLB (0.51) POLBAKR1C3KMT2AMCL1HPSE
SCHEMBL522949 0.80 POLB (0.77) POLBAKR1C3SRD5A2CYP2C9CYP2C19
SCHEMBL30287662 0.80 POLB (0.77) POLBAKR1C3SRD5A2CYP2C9CYP2C19

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 12 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-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
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
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 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
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
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US 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 POLB 4104/4885AKR1C3 1311/4885SRD5A2 4210/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 POLB 2250/4885AKR1C3 326/4885SRD5A2 587/4885

“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.