SCHEMBL248732

SCHEMBL248732

O=C(Cl)/C=C/c1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.53
▸ CYP1A2 P05177 3/20 0.51
▸ CYP1A1 P04798 1/20 0.51
▸ CYP1B1 Q16678 1/20 0.51
▸ NFE2L2 Q16236 2/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ PLA2G7 Q13093 2/20 0.45
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ CCR2 P41597 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ SNCA P37840 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ CES2 O00748 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
SCHEMBL31202474 1.00 PTGS2 (0.53) PTGS2CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL248733 1.00 PTGS2 (0.53) PTGS2CYP1A2CYP1A1CYP1B1NFE2L2
Toluene SCHEMBL28179542 0.87 NFE2L2 (0.54) PTGS2CYP1A2CYP1A1CYP1B1NFE2L2
Toluene SCHEMBL28178698 0.87 NFE2L2 (0.54) PTGS2CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL6821816 0.85 PTPN11 (0.46) CYP1A2MAOAMAOBCYP2C9
SCHEMBL13858839 0.85 PYGL (0.45) PTGS2CYP1A2HSD11B1MAOAMAOB
SCHEMBL13858840 0.85 PYGL (0.45) PTGS2CYP1A2HSD11B1MAOAMAOB
SCHEMBL6821813 0.85 PTPN11 (0.46) CYP1A2MAOAMAOBCYP2C9
SCHEMBL3572968 0.84 HSD11B1 (0.61) PTGS2CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL3572966 0.84 HSD11B1 (0.61) PTGS2CYP1A2CYP1A1CYP1B1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110894184-B Green and environment-friendly ticagrelor intermediate preparation method 安徽一帆香料有限公司 2022-02-18 — — CN claimed
CN-110894184-A Green and environment-friendly ticagrelor intermediate preparation method 安徽一帆香料有限公司 2020-03-20 — — CN claimed
CN-107141236-B The novel synthesis of ticagrelor midbody (1R, 2R) -2- (3,4- difluoro-benzene base) cyclopropane nitrile 台州职业技术学院 2019-03-22 — — CN claimed
CN-107141236-A The novel synthesis of ticagrelor midbody (1R, 2R) 2 (3,4 difluoro-benzene base) cyclopropane nitrile 台州职业技术学院 2017-09-08 — — CN claimed
US-20120130097-A1 PROCESS FOR THE PREPARATION OF CYCLOPROPYL CARBOXYLIC ACID ESTERS AND DERIVATIVES ASTRAZENECA AB (SE) 2012-05-24 — — US claimed
US-20110190520-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives ASTRAZENECA AB (SE) 2011-08-04 — — US claimed
EP-2292591-A2 Process for the preparation of cyclopropyl derivatives AstraZeneca AB (SE) 2011-03-09 — — EP claimed
EP-1760066-A2 Processes for the preparation of cyclopropyl carboxylic acid derivatives and intermediates provided by these processes AstraZeneca AB (SE) 2007-03-07 — — EP claimed
US-20060258879-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives ASTRAZENECA AB (SE) 2006-11-16 — — US claimed
JP-2003535072-A — — 2003-11-25 — — JP claimed
US-20030120105-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives ASTRAZENECA AB (SE) 2003-06-26 — — US claimed
EP-1292561-A1 PROCESS FOR THE PREPARATION OF CYCLOPROPYL CARBOXYLIC ACID ESTERS AND DERIVATIVES AstraZeneca AB (SE) 2003-03-19 — — EP claimed
WO-2001092200-A1 PROCESS FOR THE PREPARATION OF CYCLOPROPYL CARBOXYLIC ACID ESTERS AND DERIVATIVES ASTRAZENECA AB (SE) 2001-12-06 — — WO claimed
CN-115894496-A Preparation method of ticagrelor and intermediate thereof 上海贝美医药科技有限公司 2023-04-04 — — CN disclosed
CN-110894184-B Green and environment-friendly ticagrelor intermediate preparation method 安徽一帆香料有限公司 2022-02-18 — — CN disclosed
CN-108329246-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors 阵列生物制药公司 2021-02-26 — — CN disclosed
EP-1292561-A1 PROCESS FOR THE PREPARATION OF CYCLOPROPYL CARBOXYLIC ACID ESTERS AND DERIVATIVES AstraZeneca AB (SE) 2003-03-19 — — EP disclosed
EP-1281726-A1 Photo-alignment materials for liquid crystal alignment film SAMSUNG ELECTRONICS CO LTD. (KR) 2003-02-05 — — EP disclosed
WO-2001092200-A1 PROCESS FOR THE PREPARATION OF CYCLOPROPYL CARBOXYLIC ACID ESTERS AND DERIVATIVES ASTRAZENECA AB (SE) 2001-12-06 — — WO disclosed
WO-2001092263-A1 NOVEL TRIAZOLO PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2001-12-06 — — 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-20060258879-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives MCCC2, DHPS, CYP3A4 PTGS2 2872/4885CYP1A2 105/4885CYP1A1 188/4885
US-20030120105-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives MCCC2, DHPS, CYP3A4 PTGS2 2872/4885CYP1A2 105/4885CYP1A1 188/4885
US-20110190520-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives MCCC2, DHPS, CYP3A4 PTGS2 2872/4885CYP1A2 105/4885CYP1A1 188/4885
US-20120130097-A1 PROCESS FOR THE PREPARATION OF CYCLOPROPYL CARBOXYLIC ACID ESTERS AND DERIVATIVES MCCC2, DHPS, CYP3A4 PTGS2 2872/4885CYP1A2 105/4885CYP1A1 188/4885

“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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