SCHEMBL727448

SCHEMBL727448

O=C(O)CCC=Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
TNFRSF1A P19438 1/20 0.46
NFE2L2 Q16236 1/20 0.45
FFAR1 O14842 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PAM P19021 1/20 0.44
MAPT P10636 1/20 0.44
CYP19A1 P11511 1/20 0.44
RXRA P19793 1/20 0.44
PPARG P37231 1/20 0.44
OXER1 Q8TDS5 1/20 0.44
TBXAS1 P24557 1/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TBXA2R P21731 1/20 0.40

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
SCHEMBL2043779 1.00 HSD11B1 (0.50) HSD11B1GRIK1GRIK2TNFRSF1ANFE2L2
SCHEMBL727447 1.00 HSD11B1 (0.50) HSD11B1GRIK1GRIK2TNFRSF1ANFE2L2
SCHEMBL9065856 0.88 TBXAS1 (0.56) HSD11B1FFAR1ALDH1A1MAPTCYP19A1
SCHEMBL9065858 0.88 TBXAS1 (0.56) HSD11B1FFAR1ALDH1A1MAPTCYP19A1
SCHEMBL1006878 0.86 TBXAS1 (0.55) FFAR1ALDH1A1MAPTCYP19A1PPARG
SCHEMBL1006879 0.86 TBXAS1 (0.55) FFAR1ALDH1A1MAPTCYP19A1PPARG
SCHEMBL10988837 0.85 TBXAS1 (0.47) HSD11B1GRIK1GRIK2TNFRSF1AFFAR1
SCHEMBL10988834 0.85 TBXAS1 (0.47) HSD11B1GRIK1GRIK2TNFRSF1AFFAR1
SCHEMBL10988831 0.85 TBXAS1 (0.47) HSD11B1GRIK1GRIK2TNFRSF1AFFAR1
SCHEMBL18598225 0.84 HSD11B1 (0.53) HSD11B1GRIK1GRIK2TNFRSF1ANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326616-B1 PROCESS FOR THE SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USEFUL THEREFORE LEK PHARMACEUTICALS (SI) 2017-03-08 EP claimed
JP-2011529473-A 2011-12-08 JP claimed
US-20110183956-A1 PROCESS FOR THE SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USEFUL THEREFOR LEK PHARMACEUTICALS D.D. (SI) 2011-07-28 US claimed
EP-2326616-A1 PROCESS FOR THE SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USEFUL THEREFOR LEK Pharmaceuticals d.d. (SI) 2011-06-01 EP claimed
WO-2010012775-A1 PROCESS FOR THE SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USEFUL THEREFOR LEK PHARMACEUTICALS D.D. (SI) 2010-02-04 WO claimed
EP-2149547-A1 Process for the synthesis of ezetimibe and intermediates useful therefor LEK Pharmaceuticals D.D. (SI) 2010-02-03 EP claimed
CN-104860980-B It is a kind of to be used to synthesize intermediate of Ezetimibe and its preparation method and application 上海弈柯莱生物医药科技有限公司 2018-06-19 CN disclosed
EP-2326616-B1 PROCESS FOR THE SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USEFUL THEREFORE LEK PHARMACEUTICALS (SI) 2017-03-08 EP disclosed
CN-104072398-B A kind of method of synthesizing Ezetimibe Henan Academy of SciencesChemistry Institute Co., Ltd. (CN) 2016-02-03 CN disclosed
CN-104860980-A Ezetimibe synthesis intermediate and preparation method and application thereof NANJING ABIOCHEM BIOMEDICAL TECHNOLOGY CO LTD 2015-08-26 CN disclosed
CN-104072398-A Method for synthesizing ezetimibe INST CHEMISTRY CO LTD HENAN ACADEMY OF SCIENCES 2014-10-01 CN disclosed
CN-102112430-B Process for synthesis of ezetimibe and intermediates useful therefor LEK PHARMACEUTICALS 2014-05-28 CN disclosed
CN-102477008-B Method for synthesizing ezetimibe UNIV SHENYANG PHARMACEUTICAL 2014-05-21 CN disclosed
EP-2149547-A1 Process for the synthesis of ezetimibe and intermediates useful therefor LEK Pharmaceuticals D.D. (SI) 2010-02-03 EP disclosed
EP-2149547-A1 Process for the synthesis of ezetimibe and intermediates useful therefor LEK Pharmaceuticals D.D. (SI) 2010-02-03 EP disclosed
WO-2009140932-A2 METHOD OF PRODUCING (3R,4S)-L-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)- HYDROXYPROPYL)]-4-(4-HYDROXYPHENYL)-2-AZETIDINONE ZENTIVA, K.S. (CZ) 2009-11-26 WO disclosed
WO-2009106021-A1 INTERMEDIATES FOR THE PREPARATION OF (3R, 4S) -1- (4-FLUOROPHENYL) -3- [ (3S) -3- (4-FLUOROPHENYL) -3-HYDROXYPROPYL) ] -4- (4-HYDROXYPHENYL) -2-AZETIDINONE ZENTIVA, K.S. (CZ) 2009-09-03 WO disclosed
WO-2009067960-A2 A METHOD OF MANUFACTURING (3R,4S)-L-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3- HYDROXYPROPYL)]-4-(4-HYDROXYPHENYL)-2-AZETIDINONE AND ITS INTERMEDIATES ZENTIVA, A.S. (CZ) 2009-06-04 WO disclosed
WO-2008106900-A1 METHOD OF MANUFACTURING (3R, 4S) -1- (4-FLUOROPHENYL) -3- [ (3S) -3- (4 -FLUOROPHENYL) -3-HYDROXYPROPYL) ] -4- (4-HYD ROXYPHENYL) -2-AZETIDINONE ZENTIVA, A.S. (CZ) 2008-09-12 WO disclosed
EP-0298466-A2 Substituted alkene carboxylic acid amides and derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP 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 (1 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-20110183956-A1 PROCESS FOR THE SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USEFUL THEREFOR FAR1, SOAT1, SOAT2 HSD11B1 111/4885GRIK1 2921/4885GRIK2 3299/4885

“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.