SCHEMBL312947

SCHEMBL312947

CC(C)(C)OC(=O)CC(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NMBR P28336 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ENPP2 Q13822 1/20 0.32

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
SCHEMBL312957 0.86 SIRT2 (0.41) SIRT2ALDH1A1
SCHEMBL1312709 0.84 SIRT2 (0.39) SIRT2NMBRENPP2
SCHEMBL10457235 0.79 SIRT2 (0.37) SIRT2ENPP2
SCHEMBL5060964 0.79 LMNA (0.40) SIRT2ENPP2
SCHEMBL9518110 0.78 FLT3 (0.39) SIRT2KDM4EALDH1A1ENPP2
SCHEMBL1736246 0.77 CYP11B1 (0.37) SIRT2ENPP2
SCHEMBL31646315 0.76 CYP11B1 (0.38) SIRT2ENPP2
SCHEMBL6363934 0.75 SIRT2 (0.38) SIRT2NMBRENPP2
SCHEMBL3959113 0.75 SIRT2 (0.40) SIRT2NMBRCYP2C19HIF1A
SCHEMBL4499763 0.75 SIRT2 (0.38) SIRT2KDM4EALDH1A1NMBRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342194-B1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2018-08-08 EP disclosed
US-9630949-B2 Oxoazetidine derivatives, process for the preparation thereof and use thereof in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-04-25 US disclosed
US-20150045559-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-02-12 US disclosed
US-8871187-B2 Oxoazetidine derivatives, process for the preparation thereof and use thereon in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-28 US disclosed
US-8586762-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
EP-1471056-B1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-07-11 EP disclosed
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-8093403-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-10 US disclosed
US-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 US disclosed
EP-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP disclosed
US-7662974-B2 reduction of carboxylic acid ester using metal hydride complexes and metal halides to form compounds such as ethyl (3S)-3-hydroxy-3-{6-[(methylamino)carbonyl]-2-naphthyl}-3-(1-trityl-1H-imidazol-4-yl)propanoate, used as lyase enzyme inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-16 US disclosed
US-7629472-B2 Method for producing optically active compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-08 US disclosed
US-20070276143-A1 Method for producing optically active compound YAMANO TORU 2007-11-29 US disclosed
EP-1489070-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-08-29 EP disclosed
US-7247732-B2 Method for producing optically active compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 US disclosed
US-20060229457-A1 Method for producing optically active compound YAMANO TORU 2006-10-12 US disclosed
US-7084278-B2 Process for production of optically active compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
US-20050107433-A1 Process for production of optically active compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 US disclosed
EP-1471056-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME Takeda Chemical Industries, Ltd. (JP) 2004-10-27 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 (7 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-20070276143-A1 Method for producing optically active compound CYP8B1, HRH3, HRH1 SIRT2 1128/4885KDM4E 4092/4885ALDH1A1 544/4885
US-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS CYP2D6, CYP51A1, CYP2C19 SIRT2 4327/4885KDM4E 1502/4885ALDH1A1 319/4885
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 SIRT2 3756/4885KDM4E 1183/4885ALDH1A1 1252/4885
US-20150045559-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS CYP51A1, TYR, CYP2C19 SIRT2 4096/4885KDM4E 900/4885ALDH1A1 198/4885
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same CYP17A1, HSD17B7, HSD17B1 SIRT2 3753/4885KDM4E 1184/4885ALDH1A1 1246/4885
US-20060229457-A1 Method for producing optically active compound CYP8B1, HSD11B1, HSD17B7 SIRT2 1117/4885KDM4E 4217/4885ALDH1A1 526/4885
US-20050107433-A1 Process for production of optically active compounds CYP8B1, HSD11B1, CYP51A1 SIRT2 1689/4885KDM4E 3830/4885ALDH1A1 436/4885

“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.