SCHEMBL198655

SCHEMBL198655

CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17610495 1.00 ALDH1A1 (0.33) ALDH1A1MAPTPPARGMEN1KMT2A
SCHEMBL198654 1.00 ALDH1A1 (0.33) ALDH1A1MAPTPPARGMEN1KMT2A
Water SCHEMBL28484737 0.98 ALDH1A1 (0.33) ALDH1A1MAPTPPARG
Hydrochloric Acid SCHEMBL28132975 0.98 ALDH1A1 (0.35) ALDH1A1MAPTPPARGMEN1KMT2A
Hydrochloric Acid SCHEMBL17293302 0.97 ALDH1A1 (0.35) ALDH1A1MAPTPPARGMEN1KMT2A
Hydrochloric Acid SCHEMBL19065058 0.97 ALDH1A1 (0.35) ALDH1A1MAPTPPARGMEN1KMT2A
Sulfurous Acid SCHEMBL28518724 0.94 PPARG (0.31) ALDH1A1MAPTPPARG
SCHEMBL28518721 0.90 PPARG (0.31) PPARG
Imidazole SCHEMBL29264303 0.89 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9780515 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122063204-A High performance liquid chromatography detection method for ergothioneine 弈柯莱生物科技(集团)股份有限公司 2026-05-19 CN claimed
EP-4679087-A1 BIOMARKER AND USE THEREOF MEIJI CO., LTD (JP) 2026-01-14 EP claimed
EP-4520819-A1 CHEMICAL-ENZYME COUPLING METHOD FOR SYNTHESIZING ERGOTHIONEINE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2025-03-12 EP claimed
WO-2024190663-A1 BIOMARKER AND USE THEREOF 株式会社明治 2024-09-19 WO claimed
CN-118271245-A Synthesis method of ergothioneine 深圳瑞德林生物技术有限公司 2024-07-02 CN claimed
CN-118256457-A Synthesis method of ergothioneine 深圳瑞德林生物技术有限公司 2024-06-28 CN claimed
CN-118256455-A Method for preparing ergothioneine by directly utilizing cysteine 深圳瑞德林生物技术有限公司 2024-06-28 CN claimed
CN-117083377-B Chemo-enzyme coupling method for synthesizing ergothioneine 中国科学院上海有机化学研究所 2024-04-26 CN claimed
CN-115301218-B Lignocellulose sponge-based waste gas adsorption material and application thereof 江苏宿迁润泰环保科技有限公司 2024-03-08 CN claimed
US-20240036055-A1 Multiplexed DiLeu-Biotin-Azide (DBA) Tag Enabled Isobaric Tandem Orthogonal Proteolysis Activity-Based Protein Profiling (isoBOP-ABPP) Platform For High-Throughput Quantitative Pan-PTM Analysis WISCONSIN ALUMNI RESEARCH FOUNDATION 2024-02-01 US claimed
US-20160244484-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2016-08-25 US claimed
EP-3049428-A1 ANTI-INFLAMMATORY TRIPEPTIDES Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2016-08-03 EP claimed
WO-2015181507-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF TETRAHEDRON (FR) 2015-12-03 WO claimed
WO-2015040235-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-03-26 WO claimed
EP-2471810-A1 Oxyntomodulin derivatives Merck Sharp & Dohme Corporation (US) 2012-07-04 EP claimed
US-20110183902-A1 PHARMACEUTICAL COMPOSITION COMPRISING OXYNTOMODULIN DERIVATIVES AND A METHOD FOR REDUCING BODY WEIGHT USING THE COMPOSITION MERCK SHARP & DOHME CORP. (US) 2011-07-28 US claimed
US-20100144617-A1 Oxyntomodulin Derivatives MERCK SHARP & DOHME LLC 2010-06-10 US claimed
US-20100143322-A1 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD., C/O THE B-NET (GB) 2010-06-10 US claimed
EP-1991574-A2 OXYNTOMODULIN DERIVATIVES Merck & Co., Inc. (US) 2008-11-19 EP claimed
WO-2007100535-A2 OXYNTOMODULIN DERIVATIVES MERCK & CO., INC. (US) 2007-09-07 WO claimed

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-20100144617-A1 Oxyntomodulin Derivatives GPR119, OGFRL1, OGFR ALDH1A1 2554/4885MAPT 2525/4885PPARG 169/4885
US-20160244484-A1 ANTI-INFLAMMATORY TRIPEPTIDES VIP, TNF, ENPEP ALDH1A1 2456/4885MAPT 3805/4885PPARG 1953/4885
US-20110183902-A1 PHARMACEUTICAL COMPOSITION COMPRISING OXYNTOMODULIN DERIVATIVES AND A METHOD FOR REDUCING BODY WEIGHT USING THE COMPOSITION OGFR, GPR119, THOP1 ALDH1A1 3545/4885MAPT 2122/4885PPARG 129/4885

“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.