SCHEMBL1033699

SCHEMBL1033699

Oc1ccc(C=Nc2ccc(F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.61
S100B P04271 3/20 0.61
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 4/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
BLM P54132 2/20 0.59
TP53 P04637 2/20 0.59
ALOX15 P16050 2/20 0.59
MAPK1 P28482 2/20 0.59
HSD17B10 Q99714 2/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
HPGD P15428 1/20 0.59
PTGS2 P35354 4/20 0.57

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
SCHEMBL28756470 1.00 CA2 (0.61) CA2S100BALDH1A1MAPTKDM4E
SCHEMBL1033697 1.00 CA2 (0.61) CA2S100BALDH1A1MAPTKDM4E
SCHEMBL10045762 1.00 CA2 (0.61) CA2S100BALDH1A1MAPTKDM4E
SCHEMBL12416601 0.89 PTGS2 (0.67) CA2S100BALDH1A1MAPTKDM4E
SCHEMBL2455350 0.89 PTGS2 (0.67) CA2S100BALDH1A1MAPTKDM4E
SCHEMBL15347676 0.89 CA2 (0.71) CA2S100BALDH1A1MAPTKDM4E
SCHEMBL11320970 0.89 CA2 (0.71) CA2S100BALDH1A1MAPTKDM4E
SCHEMBL2839684 0.89 CA2 (0.71) CA2S100BALDH1A1MAPTKDM4E
SCHEMBL2455348 0.89 PTGS2 (0.67) CA2S100BALDH1A1MAPTKDM4E
SCHEMBL20186948 0.89 PTGS2 (0.67) CA2S100BALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850144-A Preparation process of ezetimibe 湖南方盛绿色合成制药有限公司 2023-03-28 CN claimed
CN-112441959-A Ezetimibe raw material medicine synthesis process 石家庄市华新药业有限责任公司 2021-03-05 CN claimed
CN-115850144-A Preparation process of ezetimibe 湖南方盛绿色合成制药有限公司 2023-03-28 CN disclosed
CN-115160179-A Preparation process of ezetimibe intermediate 湖南方盛堂制药有限公司 2022-10-11 CN disclosed
EP-3434285-B1 COMBINATIONS OF OBETICHOLIC ACID AND EZETIMIBE FOR THE TREATMENT OF NAFLD AND NASH WATERSTONE PHARMACEUTICALS WUHAN CO LTD (CN) 2021-06-30 EP disclosed
CN-110818606-B Preparation method of ezetimibe and intermediate thereof 上海博志研新药物技术有限公司 2021-06-29 CN disclosed
CN-109517316-B Fluorine-containing active ester, preparation method thereof and resin cured product containing fluorine-containing active ester 广东莱尔新材料科技股份有限公司 2021-05-04 CN disclosed
CN-112441959-A Ezetimibe raw material medicine synthesis process 石家庄市华新药业有限责任公司 2021-03-05 CN disclosed
CN-110818606-A Preparation method of ezetimibe and intermediate thereof 上海博志研新药物技术有限公司 2020-02-21 CN disclosed
US-20190083459-A1 PHARMACEUTICAL COMPOSITION AND USE THEREOF WATERSTONE PHARMACEUTICALS(WUHAN) CO., LTD. (CN) 2019-03-21 US disclosed
EP-3434285-A1 PHARMACEUTICAL COMPOSITION AND USE THEREOF Waterstone Pharmaceuticals (Wuhan) Co., Ltd. (CN) 2019-01-30 EP disclosed
US-20070208179-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use AVENTIS PHARMA DEUTSCHLAND GMBH 2007-09-06 US disclosed
WO-2007072088-A1 PROCESS FOR THE PRODUCTION OF EZETIMIBE AND INTERMEDIATES USED IN THIS PROCES RICHTER GEDEON NYRT. (HU) 2007-06-28 WO disclosed
EP-1687287-A1 A NOVEL PROCESS FOR EZETIMIBE INTERMEDIATE Hetero Drugs Limited (IN) 2006-08-09 EP disclosed
US-7067675-B2 Process for ezetimibe intermediate HETERO DRUGS LIMITED (IN) 2006-06-27 US disclosed
US-20060069137-A1 Novel process for ezetimibe intermediate HETERO DRUGS LIMITED (IN) 2006-03-30 US disclosed
US-6992067-B2 Diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-01-31 US disclosed
US-20050267038-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use AVENTIS PHARMA DEUTSCHLAND GMBH 2005-12-01 US disclosed
WO-2005049592-A1 A NOVEL PROCESS FOR EZETIMIBE INTERMEDIATE HETERO DRUGS LIMITED (IN) 2005-06-02 WO disclosed
US-20020137689-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-26 US 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-20020137689-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use QDPR, NDUFB7, NDUFB6 CA2 4405/4885S100B 3938/4885ALDH1A1 396/4885
US-20050267038-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use QDPR, NDUFB6, NDUFB7 CA2 4428/4885S100B 3976/4885ALDH1A1 604/4885
US-20060069137-A1 Novel process for ezetimibe intermediate DPP4, NPC1L1, PCSK9 CA2 2055/4885S100B 4731/4885ALDH1A1 379/4885
US-20070208179-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use QDPR, NDUFB6, NDUFB7 CA2 4428/4885S100B 3976/4885ALDH1A1 604/4885

“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.