SCHEMBL875568

SCHEMBL875568

OCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
PLA2G7 Q13093 5/20 0.47
TRPV1 Q8NER1 1/20 0.47
RAF1 P04049 4/20 0.46
BRAF P15056 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
AR P10275 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
NOTUM Q6P988 1/20 0.43
FFAR1 O14842 1/20 0.42
CHEK2 O96017 1/20 0.42
KDR P35968 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL29918301 1.00 IDO1 (0.48) IDO1PLA2G7TRPV1RAF1BRAF
SCHEMBL18235653 0.92 PLA2G7 (0.46) IDO1PLA2G7TRPV1RAF1BRAF
SCHEMBL29918384 0.88 IDO1 (0.50) IDO1PLA2G7RAF1BRAFPPARG
SCHEMBL875664 0.88 IDO1 (0.50) IDO1PLA2G7RAF1BRAFPPARG
SCHEMBL9901378 0.87 IDO1 (0.49) IDO1PLA2G7RAF1BRAFPPARG
SCHEMBL9106976 0.87 IDO1 (0.49) IDO1PLA2G7RAF1BRAFPPARG
SCHEMBL9107327 0.85 IDO1 (0.51) IDO1PLA2G7RAF1BRAFAR
SCHEMBL9905577 0.85 PLA2G7 (0.48) IDO1PLA2G7RAF1BRAFPPARG
SCHEMBL9105104 0.85 IDO1 (0.51) IDO1PLA2G7RAF1BRAFAR
SCHEMBL17226673 0.85 IDO1 (0.48) IDO1PLA2G7RAF1BRAFPPARG

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-07-25 US disclosed
CN-114057740-B Spiropyrimidinone derivatives, method for the production thereof, pharmaceutical compositions and use thereof 上海赛默罗生物科技有限公司 2024-04-02 CN disclosed
EP-4324835-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-02-21 EP disclosed
WO-2023109471-A1 SPIRO PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2023-06-22 WO disclosed
WO-2023109471-A1 SPIRO PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2023-06-22 WO disclosed
CN-115925721-A Pyrimidone tricyclic derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-04-07 CN disclosed
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2023-02-09 US disclosed
CN-115304620-A Pyrimidone derivatives, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-11-08 CN disclosed
CN-114057740-A Spirocyclic pyrimidone derivatives, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-02-18 CN 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-2013013503-A1 2,3-DIHYDROIMIDAZO[1,2-C] PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-31 WO disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 WO 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
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 WO 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
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 IDO1 2560/4885PLA2G7 6/4885TRPV1 1296/4885
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE PLA2G1B, LYPLAL1, PLA2G12B IDO1 959/4885PLA2G7 8/4885TRPV1 1557/4885
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF LYPLAL1, LYPLA1, LYPLA2 IDO1 1563/4885PLA2G7 18/4885TRPV1 185/4885

“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.