SCHEMBL5819429

SCHEMBL5819429

CC(C)(C)OC(=O)N[C@H](CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
PTGS2 P35354 1/20 0.55
THPO P40225 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CTSK P43235 7/20 0.50
CTSS P25774 6/20 0.50
ACE P12821 2/20 0.50
PPARA Q07869 6/20 0.48
PPARG P37231 5/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL314569 1.00 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1564513 1.00 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
Methoxymethane SCHEMBL7986329 0.96 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
Methoxymethane SCHEMBL7986326 0.96 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7353416 0.93 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
Acetic Acid Methyl Ester SCHEMBL7402646 0.93 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28423099 0.88 ACE (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29604456 0.87 ACE (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29414393 0.86 CTSS (0.46) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2119739 0.86 CTSK (0.49) CTSKCTSSACEPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141253-A T for CTSB response constructed in cells 2 Small molecule magnetic resonance contrast agent and preparation method thereof 中国科学技术大学 2022-10-04 CN claimed
CN-112175042-B Method for synthesizing Etelcalcetide 深圳翰宇药业股份有限公司 2022-05-31 CN claimed
CN-112672747-B Peptides for activating cell signaling in osteoprogenitor cells 加利福尼亚大学董事会 2025-02-18 CN disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
US-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-06-01 US disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
CN-108473483-B Compounds for medical use 奥斯维尔医疗私人有限公司 2022-08-30 CN disclosed
CN-112175042-B Method for synthesizing Etelcalcetide 深圳翰宇药业股份有限公司 2022-05-31 CN disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
US-20210087337-A1 COMPOUNDS, COMPOSITIONS AND METHODS RELATED TO ANTIMICROBIAL APPLICATIONS VYOME THERAPEUTICS LIMITED (IN) 2021-03-25 US disclosed
CN-107567456-A Boron-containing small molecules as antiprotozoan agent 安纳考尔医药公司 2018-01-09 CN disclosed
US-20170057996-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-03-02 US disclosed
WO-2005072308-A9 CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2006-02-02 WO 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 (3 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-20170057996-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT NFATC1, MCL1, ICOS KDM4E 1564/4885MAPT 4317/4885THRB 2496/4885
US-20210087337-A1 COMPOUNDS, COMPOSITIONS AND METHODS RELATED TO ANTIMICROBIAL APPLICATIONS CUTA, GMPS, MMP8 KDM4E 2828/4885MAPT 3659/4885THRB 4490/4885
US-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 KDM4E 3065/4885MAPT 2364/4885THRB 2810/4885

“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.