SCHEMBL9107231

SCHEMBL9107231

OCCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.51
▸ EPHX2 P34913 2/20 0.51
▸ CA2 P00918 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ S1PR3 Q99500 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ PPARA Q07869 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ SOS1 Q07889 1/20 0.41
▸ HSPB1 P04792 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
SCHEMBL2167811 0.89 CA2 (0.56) LTA4HCA2PPARAFFAR1TDP1
SCHEMBL56520 0.87 CA2 (0.59) CA2TAAR1MAOBTDP1KDM4E
SCHEMBL6161106 0.83 LTA4H (0.65) LTA4HEPHX2MAOBSOS1HSPB1
SCHEMBL17787256 0.83 LTA4H (0.65) LTA4HCA2PPARAFFAR1TDP1
SCHEMBL10518700 0.82 LTA4H (0.46) LTA4HEPHX2MAOBPPARAFFAR1
SCHEMBL14656080 0.81 SOS1 (0.47) LTA4HCA2S1PR1S1PR3MAOB
SCHEMBL16755611 0.81 LTA4H (0.69) LTA4HEPHX2CA2PPARAFFAR1
SCHEMBL1082295 0.81 LTA4H (0.69) LTA4HEPHX2CA2PPARAFFAR1
SCHEMBL10787556 0.80 CA2 (0.52) CA2TAAR1MAOBTDP1KDM4E
SCHEMBL6546 0.80 MAOB (0.59) CA2TAAR1MAOBTDP1

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 10 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
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 — — WO 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 288/4885CA2 2693/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 LTA4H 15/4885EPHX2 288/4885CA2 2693/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B LTA4H 14/4885EPHX2 425/4885CA2 3839/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B LTA4H 18/4885EPHX2 419/4885CA2 3800/4885

“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.

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