Sugi Predict

Sugi Predict / Compounds / SCHEMBL6474783

SCHEMBL6474783

SCHEMBL6474783

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.55
▸ ITGA2B P08514 1/20 0.55
▸ MAOB P27338 4/20 0.53
▸ PPARG P37231 4/20 0.51
▸ PPARA Q07869 4/20 0.51
▸ ALOX5 P09917 3/20 0.50
▸ PPARD Q03181 1/20 0.49
▸ YAP1 P46937 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 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
SCHEMBL29397771 1.00 ITGB3 (0.55) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL16634946 1.00 ITGB3 (0.55) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL18918265 0.91 LTA4H (0.52) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL8765621 0.89 ITGB3 (0.54) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL1401042 0.89 MMP13 (0.46) ITGB3ITGA2B
SCHEMBL65502 0.89 MMP13 (0.46) ITGB3ITGA2B
SCHEMBL2476924 0.89 MMP13 (0.46) ITGB3ITGA2B
SCHEMBL17923777 0.89 ITGB3 (0.48) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL20693061 0.88 MAOB (0.48) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL2292028 0.87 MMP13 (0.57) ITGB3ITGA2BPPARGPPARAPPARD

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
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
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
US-11358989-B2 Apratyramide therapeutic agents and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-06-14 — — US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto UNIV EMORY (US) 2021-02-25 — — US disclosed
EP-3039009-B1 MAO-B SELECTIVE INHIBITOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2019-05-01 — — EP disclosed
US-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-02-05 — — US disclosed
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2018-11-08 — — US disclosed
US-9700881-B2 Heterocyclic coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2017-07-11 — — US disclosed
WO-2017070157-A1 REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2017-04-27 — — WO disclosed
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2016-08-25 — — US disclosed
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-21 — — US disclosed
WO-2015054337-A1 HETEROCYCLIC COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2015-04-16 — — WO disclosed
WO-2015027324-A1 MAO-B SELECTIVE INHIBITOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-03-05 — — WO disclosed
US-6916812-B2 Dietetic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 — — US disclosed
US-20030232807-A1 Alpha-aminoamide derivatives as melanocortin agonists POINDEXTER GRAHAM S (US) 2003-12-18 — — 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 (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-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof MAOB, MAOA, COMT ITGB3 1939/4885ITGA2B 1154/4885MAOB 1/4885
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto HAT1, CBR3, CBR1 ITGB3 4021/4885ITGA2B 4502/4885MAOB 611/4885
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SELENOI ITGB3 3430/4885ITGA2B 3947/4885MAOB 714/4885
US-11358989-B2 Apratyramide therapeutic agents and methods of treatment FAP, STAT6, DNPEP ITGB3 2438/4885ITGA2B 3594/4885MAOB 1975/4885
US-20030232807-A1 Alpha-aminoamide derivatives as melanocortin agonists MC1R, MC5R, MC4R ITGB3 3411/4885ITGA2B 3338/4885MAOB 1504/4885
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof MAOB, MAOA, COMT ITGB3 1939/4885ITGA2B 1154/4885MAOB 1/4885
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SQOR ITGB3 3332/4885ITGA2B 3913/4885MAOB 691/4885

“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.