SCHEMBL17308657

SCHEMBL17308657

C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
SLC7A5 Q01650 1/20 0.59
CPB2 Q96IY4 1/20 0.55
ALDH1A1 P00352 4/20 0.50
NFKB1 P19838 2/20 0.50
GABRA1 P14867 1/20 0.50
TSHR P16473 1/20 0.50
GABRR1 P24046 1/20 0.50
GABRR2 P28476 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
HRH4 Q9H3N8 3/20 0.49
HRH3 Q9Y5N1 3/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL17619795 1.00 CYP3A4 (0.59) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL26315497 0.86 SLC22A4 (0.55) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL1331027 0.86 SLC22A4 (0.55) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL26315500 0.83 CYP3A4 (0.48) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL791747 0.78 CYP3A4 (0.65) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL14411160 0.78 CYP3A4 (0.65) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL27972810 0.77 ITGB2 (0.56) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL1624184 0.76 CYP3A4 (0.67) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL29385058 0.76 CYP3A4 (0.67) CYP3A4SLC7A5CPB2ALDH1A1NFKB1
SCHEMBL1131474 0.76 CYP3A4 (0.67) CYP3A4SLC7A5CPB2ALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20240002892-A1 COMPOUND ENZYME AND APPLICATION THEREOF IN PREPARATION OF L-ERGOTHIONEINE SHENZHEN READLINE BIOTECH CO., LTD. (CN) 2024-01-04 US claimed
EP-4242301-A1 COMPOUND ENZYME AND APPLICATION THEREOF IN PREPARATION OF L-ERGOTHIONEINE Shenzhen Readline Biotech Co., Ltd. (CN) 2023-09-13 EP claimed
US-20250115557-A1 TOTAL SYNTHESES OF SELENONEINE, ISO-SELENONEINE, AND ISOMERS UNIVERSITé LAVAL (CA) 2025-04-10 US disclosed
EP-4479386-A1 TOTAL SYNTHESES OF SELENONEINE, ISO-SELENONEINE, AND ISOMERS Université Laval (CA) 2024-12-25 EP disclosed
CN-118256457-A Synthesis method of ergothioneine 深圳瑞德林生物技术有限公司 2024-06-28 CN disclosed
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 disclosed
US-20240002892-A1 COMPOUND ENZYME AND APPLICATION THEREOF IN PREPARATION OF L-ERGOTHIONEINE SHENZHEN READLINE BIOTECH CO., LTD. (CN) 2024-01-04 US disclosed
US-20230293491-A1 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND TREATMENT OF CONDITIONS RELATED TO THE QUALITY OF AGING AND LONGEVITY EPITRACKER INC (US) 2023-09-21 US disclosed
EP-4242301-A1 COMPOUND ENZYME AND APPLICATION THEREOF IN PREPARATION OF L-ERGOTHIONEINE Shenzhen Readline Biotech Co., Ltd. (CN) 2023-09-13 EP disclosed
WO-2023155006-A1 TOTAL SYNTHESES OF SELENONEINE, ISO-SELENONEINE, AND ISOMERS UNIVERSITé LAVAL (CA) 2023-08-24 WO disclosed
US-20170283382-A1 METHOD FOR PRODUCING PURE L-HERCYNINE TETRAHEDRON (FR) 2017-10-05 US disclosed
US-20170283382-A1 METHOD FOR PRODUCING PURE L-HERCYNINE TETRAHEDRON (FR) 2017-10-05 US disclosed
US-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES TETRAHEDRON (FR) 2017-07-06 US disclosed
US-20170050933-A1 Nalpha, Nalpha, Nalpha-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS Trampota Jan (US) 2017-02-23 US disclosed
US-20160264530-A1 NALPHA, NALPHA, NALPHA-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS MIRONOVA INNOVATIONS, LLC 2016-09-15 US disclosed
US-9428463-B1 Nα, Nα, Nα-trialkyl histidine derivatives useful for the preparation of ergothioneine compounds MIRONOVA INNOVATIONS, LLC (US) 2016-08-30 US disclosed
WO-2016042273-A1 METHOD FOR PRODUCING PURE L-HERCYNINE TETRAHEDRON (FR) 2016-03-24 WO disclosed
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 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 (6 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-20230293491-A1 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND TREATMENT OF CONDITIONS RELATED TO THE QUALITY OF AGING AND LONGEVITY BHMT, FTH1, HBG1 CYP3A4 2867/4885SLC7A5 656/4885CPB2 2120/4885
US-20250115557-A1 TOTAL SYNTHESES OF SELENONEINE, ISO-SELENONEINE, AND ISOMERS SCLY, SELENOI, SRM CYP3A4 660/4885SLC7A5 201/4885CPB2 3796/4885
US-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES AHCYL1, CBS, H1-5 CYP3A4 2019/4885SLC7A5 79/4885CPB2 3389/4885
US-20170283382-A1 METHOD FOR PRODUCING PURE L-HERCYNINE MLX, MLEC, PTMS CYP3A4 3127/4885SLC7A5 284/4885CPB2 1696/4885
US-20170050933-A1 Nalpha, Nalpha, Nalpha-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS HNMT, TTPA, FTH1 CYP3A4 1205/4885SLC7A5 659/4885CPB2 2994/4885
US-20160264530-A1 NALPHA, NALPHA, NALPHA-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS HNMT, TTPA, FTH1 CYP3A4 1205/4885SLC7A5 659/4885CPB2 2994/4885

“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.