SCHEMBL241915

SCHEMBL241915

CCC(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.58
CTSS P25774 5/20 0.58
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KLK5 Q9Y337 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1372787 1.00 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12808094 1.00 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL23059046 0.93 CTSK (0.60) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1688825 0.91 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL15435539 0.91 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12071191 0.87 CYP1A2 (0.64) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL30695390 0.87 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12069015 0.87 CYP1A2 (0.64) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12070120 0.87 CYP1A2 (0.64) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL25008491 0.86 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057735-B Application of bacillus amyloliquefaciens esterase in splitting N-BOC-DL-alpha-methyl aminobutyric acid 浙江工业大学 2021-10-15 CN claimed
CN-104531794-B A kind of preparation method of the aminobutyric acid esters of N BOC D 2 浙江工业大学 2017-07-28 CN claimed
CN-103820416-B High-stereoselectivity esterolytic enzyme, encoding gene and application of encoding gene 浙江工业大学 2017-04-12 CN claimed
CN-104531794-A Preparation method of N-BOC-D-2-aminobutyrate UNIV ZHEJIANG TECHNOLOGY 2015-04-22 CN claimed
CN-103820416-A High-stereoselectivity esterolytic enzyme, encoding gene and application of encoding gene UNIV ZHEJIANG TECHNOLOGY 2014-05-28 CN claimed
CN-119570870-A Method for synthesizing L-2-aminobutyric acid and L-2-aminobutanamide hydrochloride and application 浙江永太科技股份有限公司 2025-03-07 CN disclosed
US-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-18 US disclosed
CN-111057735-B Application of bacillus amyloliquefaciens esterase in splitting N-BOC-DL-alpha-methyl aminobutyric acid 浙江工业大学 2021-10-15 CN disclosed
US-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2021-01-14 US disclosed
US-10646505-B2 DNA-functionalized scaffolds for drug capture applications CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-05-12 US disclosed
WO-2019189876-A1 (CARBOXYLIC ACID-TYPE COMPOUND)-POLYMER CONJUGATE HAVING BIOLOGICAL ACTIVITY, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2019-10-03 WO disclosed
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2019-09-12 US disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-7022850-B2 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB CO. (US) 2006-04-04 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2004-12-02 US disclosed
CN-1433406-A Benzo [ a ] phenazine-11-amide derivatives and their use as combined topoisomerase I and II inhibitors XENOVA LTD (GB) 2003-07-30 CN disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 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 (8 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-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION ASNS, GLUL, GNMT CTSK 1842/4885CTSS 527/4885CYP1A2 4091/4885
US-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CTSK 729/4885CTSS 903/4885CYP1A2 2002/4885
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA CTSK 638/4885CTSS 737/4885CYP1A2 1812/4885
US-10646505-B2 DNA-functionalized scaffolds for drug capture applications TOP1, TOP2A, DNA2 CTSK 3378/4885CTSS 2871/4885CYP1A2 2857/4885
US-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A CTSK 3439/4885CTSS 3151/4885CYP1A2 184/4885
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases CCNB1, CCNB2, CCNI CTSK 1123/4885CTSS 1515/4885CYP1A2 1812/4885
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CTSK 729/4885CTSS 903/4885CYP1A2 2002/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B CTSK 3950/4885CTSS 3181/4885CYP1A2 100/4885

“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.