SCHEMBL9105917

SCHEMBL9105917

NNC(=O)OCCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPK14 Q16539 1/20 0.48
NAAA Q02083 1/20 0.44
MAOB P27338 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FFAR1 O14842 1/20 0.43
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL9105858 0.88 KDM4E (0.51) LTA4HEPHX2MAPK14MAOBFFAR1
SCHEMBL9107802 0.86 TLR8 (0.46) LTA4HEPHX2ALDH1A1MAPK14FFAR1
SCHEMBL9106584 0.84 AOC3 (0.41) LTA4HEPHX2ALDH1A1MAPK14
SCHEMBL9108302 0.83 PLAAT3 (0.53)
SCHEMBL9108080 0.82 BRAF (0.48) EPHX2MAPK14MEN1KMT2APPARA
SCHEMBL9103241 0.79 CARM1 (0.41) LTA4HEPHX2ALDH1A1MAPK14FFAR1
SCHEMBL9105909 0.79 IDO1 (0.46) LTA4HEPHX2MAPK14MAOBMEN1
SCHEMBL9108067 0.77 FFAR4 (0.40) KMT2AFFAR1PPARAPPARD
SCHEMBL2364381 0.76 TAAR1 (0.52) MAOBKMT2AFFAR1PPARAPPARD
SCHEMBL6264771 0.76 IDO1 (0.55) LTA4HEPHX2MAPK14MAOBMEN1

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 LTA4H 15/4885EPHX2 288/4885ALDH1A1 3079/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 LTA4H 15/4885EPHX2 288/4885ALDH1A1 3079/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B LTA4H 14/4885EPHX2 425/4885ALDH1A1 1976/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B LTA4H 18/4885EPHX2 419/4885ALDH1A1 2042/4885

“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.