SCHEMBL695215

SCHEMBL695215

OCc1ccc(O)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
TYR P14679 2/20 0.41
KIF11 P52732 3/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HSD17B3 P37058 1/20 0.40
NR1I2 O75469 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
MIF P14174 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL19304121 0.83 HSD17B3 (0.41) IDO1TYRKIF11HSD17B3NR1I2
SCHEMBL14793818 0.79 CAMK2A (0.47) ALDH1A1LMNACYP2C9
SCHEMBL323570 0.79 KIF11 (0.40) IDO1TYRKIF11HSD17B3NR1I2
SCHEMBL2964967 0.79 HSP90AA1 (0.41) IDO1KIF11HSP90AA1HSP90AB1NOTUM
SCHEMBL3278241 0.78 IDO1 (0.61) IDO1KIF11
SCHEMBL5385308 0.78 ALDH1A1 (0.59) TYRNR1I2ALDH1A1LMNACYP2C9
SCHEMBL1993639 0.78 CES2 (0.52) IDO1AR
SCHEMBL12682526 0.77 POLQ (0.50) IDO1HSP90AA1LMNAALOX15HTT
SCHEMBL694699 0.77 IDO1 (0.38) IDO1KIF11HSP90AA1HSP90AB1NOTUM
SCHEMBL2579444 0.77 GAA (0.57) IDO1KIF11HSP90AA1HSP90AB1ALDH1A1

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 11 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
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 IDO1 292/4885TYR 2901/4885KIF11 4819/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 IDO1 74/4885TYR 169/4885KIF11 4499/4885

“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.