SCHEMBL694237

SCHEMBL694237

O=C(O)c1cc(Oc2ccccc2)ccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
AKR1C3 P42330 1/20 0.49
PDK2 Q15119 1/20 0.46
SRD5A2 P31213 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 2/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
DHODH Q02127 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPSE Q9Y251 1/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCN9A Q15858 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL8978047 0.90 POLB (0.45) POLBKMT2ADHODHMEN1SCN9A
SCHEMBL695791 0.89 POLB (0.54) POLBAKR1C3PDK2SRD5A2CYP2C9
SCHEMBL695916 0.85 XDH (0.48) POLBPDK2KDM4ECYP2C9CYP1A2
SCHEMBL29140668 0.81 POLB (0.43) POLBAKR1C3SRD5A2KDM4EDHODH
SCHEMBL23140494 0.80 SMN1; SMN2 (0.54) POLBAKR1C3KDM4EKMT2AMEN1
SCHEMBL30938277 0.80 SMN1; SMN2 (0.54) POLBAKR1C3KDM4EKMT2AMEN1
SCHEMBL30287662 0.79 POLB (0.77) POLBAKR1C3SRD5A2KDM4ECYP2C9
SCHEMBL522949 0.79 POLB (0.77) POLBAKR1C3SRD5A2KDM4ECYP2C9
SCHEMBL8924039 0.79 POLB (0.46) POLBKDM4EDHODHL3MBTL1
SCHEMBL2276272 0.79 MEN1 (0.58) CYP2C9KMT2APTGS1MAPK1GFER

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 1311/4885PDK2 1497/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 POLB 2250/4885AKR1C3 326/4885PDK2 1191/4885

“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.