SCHEMBL9105559

SCHEMBL9105559

NNC(=O)OCCc1ccc(Oc2cccc(C(F)(F)F)n2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
HRH3 Q9Y5N1 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
LOXL2 Q9Y4K0 5/20 0.35
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35
LOX P28300 2/20 0.34
MET P08581 2/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
MAPK3 P27361 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34
TNNI3K Q59H18 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL9105553 0.85 ALOX5AP (0.38) P2RX7HRH3FFAR4ALOX5APFEN1
SCHEMBL875387 0.81 ALOX5AP (0.40) P2RX7HRH3FFAR4ALOX5APFEN1
SCHEMBL876079 0.78 ALOX5AP (0.41) FFAR4ALOX5APFEN1LOXL2LOX
SCHEMBL875359 0.76 ALOX5AP (0.40) FFAR4ALOX5APFEN1LOXL2FPR2
SCHEMBL9107367 0.74 SCN9A (0.49) SCN9ARAF1BRAFKDR
SCHEMBL9889528 0.70 FFAR4 (0.37) FFAR4MAPK14
SCHEMBL875110 0.69 ALOX5AP (0.43) ALOX5APFEN1SCN9ARAF1BRAF
SCHEMBL9107852 0.68 OPRM1 (0.43) P2RX7MGLL
SCHEMBL9892546 0.68 F10 (0.44) LOXL2FPR2SCN9ALOXMGLL
SCHEMBL9105858 0.67 KDM4E (0.51) FFAR4MAPK14

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 P2RX7 901/4885HRH3 3107/4885FFAR4 355/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 P2RX7 901/4885HRH3 3107/4885FFAR4 355/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B P2RX7 665/4885HRH3 2497/4885FFAR4 588/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B P2RX7 636/4885HRH3 2409/4885FFAR4 608/4885

“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.