SCHEMBL17884223

SCHEMBL17884223

Cc1cc(CO)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.52
S1PR1 P21453 1/20 0.44
IDO1 P14902 2/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
PLA2G7 Q13093 3/20 0.42
SCN9A Q15858 3/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39

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
SCHEMBL18235655 0.88 AR (0.52) ARS1PR1IDO1PLA2G7SCN9A
SCHEMBL17884222 0.88 AR (0.52) ARS1PR1IDO1PLA2G7SCN9A
SCHEMBL29918343 0.86 AR (0.50) ARS1PR1IDO1BRAFKDR
SCHEMBL14656196 0.86 AR (0.50) ARS1PR1IDO1BRAFKDR
SCHEMBL14670088 0.85 AR (0.49) ARS1PR1IDO1BRAFPLA2G7
SCHEMBL19767027 0.84 HTR2A (0.47) S1PR1HTR2ASLC6A4KCNH2
SCHEMBL875664 0.82 IDO1 (0.50) ARS1PR1IDO1BRAFKDR
SCHEMBL29918384 0.82 IDO1 (0.50) ARS1PR1IDO1BRAFKDR
SCHEMBL875787 0.81 AR (0.67) ARPLA2G7
SCHEMBL29918437 0.81 AR (0.67) ARPLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239135-B1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-05-04 EP disclosed
US-10787422-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-09-29 US disclosed
US-20190248751-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-08-15 US disclosed
US-10280146-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-05-07 US disclosed
EP-3239135-A1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-11-01 EP disclosed
EP-3239135-A1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-11-01 EP disclosed
WO-2016180247-A1 BICYCLIC COMPOUND USED AS AN LP-PLA2 INHIBITOR, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 中国科学院上海药物研究所 2016-11-17 WO disclosed
WO-2016101927-A1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF 中国科学院上海药物研究所 2016-06-30 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 (3 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-10787422-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof PLA2G12B, PLA2G1B, PLA2G4A AR 1513/4885S1PR1 162/4885IDO1 511/4885
US-10280146-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof PLA2G12B, PLA2G1B, PLA2G4A AR 1513/4885S1PR1 162/4885IDO1 511/4885
US-20190248751-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof PLA2G12B, PLA2G1B, PLA2G4A AR 1513/4885S1PR1 162/4885IDO1 511/4885

“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.