SCHEMBL5607084

SCHEMBL5607084

CCCOCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HSD17B10 Q99714 2/20 0.32
CTSK P43235 1/20 0.32
CYP2D6 P10635 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
DGAT1 O75907 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL16406525 0.96 CES2 (0.35) CES2CA12CA1CA7CA14
SCHEMBL19661693 0.96 CES2 (0.35) CES2CA12CA1CA7CA14
SCHEMBL20365516 0.96 CES2 (0.35) CES2CA12CA1CA7CA14
SCHEMBL27098181 0.96 CES2 (0.35) CES2CA12CA1CA7CA14
SCHEMBL17947451 0.92 CES2 (0.41) CES2CA12CA1CA7CA14
SCHEMBL18591854 0.91 CES2 (0.40) CES2CTSKPSEN1PSEN2APH1B
SCHEMBL13907508 0.89 APLNR (0.36) CES2CA12CA14HSD17B10CTSK
SCHEMBL11733407 0.88 CES2 (0.33) CES2CA12CA1CA7CA14
SCHEMBL5607231 0.88 CES2 (0.47) CES2CTSKPSEN1PSEN2APH1B
SCHEMBL25182441 0.86 APLNR (0.35) CES2CA12CA14HSD17B10CTSK

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024565-B2 Targeted CD73 antibody and antibody-drug conjugate, and preparation method therefor and uses thereof FUDAN UNIVERSITY (CN) 2024-07-02 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 US disclosed
US-20230250102-A1 DNA Polymerase IIIC Inhibitors and Use Thereof Acurx Pharmaceuticals, Inc. 2023-08-10 US disclosed
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-07-12 US disclosed
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE ARVINAS OPERATIONS, INC. 2018-06-28 US disclosed
US-20180120698-A1 PHOTOCURABLE COMPOSITION, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING DEVICE FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 US disclosed
US-20170285468-A1 PHOTOCURABLE COMPOSITION FOR IMPRINTS, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING DEVICE FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2017-03-09 US disclosed
US-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2016-07-28 US disclosed
WO-2015000867-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-01-08 WO disclosed
US-8624044-B2 Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions ARISGEN SA (CH) 2014-01-07 US disclosed
US-20120301401-A1 ORTHOESTER DERIVATIVES OF CROWN ETHERS AS CARRIERS FOR PHARMACEUTICAL AND DIAGNOSTIC COMPOSITIONS ARISGEN SA (CH) 2012-11-29 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 WO disclosed
US-6194525-B1 INCLUDES LOW-TEMPERATURE PHYSICAL MIXTURE OF UNSATURATED POLYESTER RESIN AND FREE RADICAL INITIATOR, AND POLYMERIZATION PROMOTER FERRO CORPORATION 2001-02-27 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 (12 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-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ESRRA, MDM2 CES2 2283/4885CA12 2693/4885CA1 2519/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA CES2 2289/4885CA12 2708/4885CA1 2519/4885
US-20120301401-A1 ORTHOESTER DERIVATIVES OF CROWN ETHERS AS CARRIERS FOR PHARMACEUTICAL AND DIAGNOSTIC COMPOSITIONS OXER1, CBR3, CBR1 CES2 61/4885CA12 494/4885CA1 1039/4885
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE EGFR, ERBB2, ERBB3 CES2 2924/4885CA12 3208/4885CA1 3346/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA CES2 2590/4885CA12 4184/4885CA1 4774/4885
US-20230250102-A1 DNA Polymerase IIIC Inhibitors and Use Thereof POLI, POLN, POLB CES2 2169/4885CA12 2840/4885CA1 3212/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL CES2 3156/4885CA12 3916/4885CA1 2650/4885
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT CES2 3003/4885CA12 3495/4885CA1 2626/4885
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL CES2 3156/4885CA12 3916/4885CA1 2650/4885
US-12024565-B2 Targeted CD73 antibody and antibody-drug conjugate, and preparation method therefor and uses thereof ENTPD1, ENTPD5, ENTPD8 CES2 1553/4885CA12 559/4885CA1 1372/4885
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR CES2 399/4885CA12 463/4885CA1 329/4885
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT CES2 3003/4885CA12 3495/4885CA1 2626/4885

“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.