SCHEMBL29601603

SCHEMBL29601603

CSc1ncc(C[C@@H](C(=O)[O-])[N+](C)(C)C)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A4 Q9H015 1/20 0.51
POLB P06746 3/20 0.45
ALPL P05186 1/20 0.45
ALPG P10696 1/20 0.45
KDM6B O15054 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
HIF1AN Q9NWT6 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.35
PIM1 P11309 1/20 0.32
TTK P33981 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29705505 0.89 SLC22A4 (0.51) SLC22A4POLBALPLALPGGAA
SCHEMBL2954946 0.81 SLC22A4 (0.52) SLC22A4POLBALPLALPGGAA
SCHEMBL2218757 0.81 SLC22A4 (0.52) SLC22A4POLBALPLALPGGAA
SCHEMBL29418359 0.81 SLC22A4 (0.52) SLC22A4POLBALPLALPGGAA
SCHEMBL188140 0.81 SLC22A4 (0.52) SLC22A4POLBALPLALPGGAA
Water SCHEMBL7254213 0.80 SLC22A4 (0.51) SLC22A4POLBALPLALPGGAA
SCHEMBL13201935 0.72 SLC22A4 (0.35) SLC22A4POLBALPLALPGKDM6B
SCHEMBL26315497 0.72 SLC22A4 (0.55) SLC22A4POLBALPLALPGGAA
SCHEMBL1331027 0.72 SLC22A4 (0.55) SLC22A4POLBALPLALPGGAA
SCHEMBL29514561 0.71 SLC22A4 (0.43) SLC22A4POLBALPLALPGGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11504355-B2 Ergothioneine compositions and methods for maintaining and/or increasing vitamin C levels in cells and organisms MIRONOVA INNOVATIONS, LLC (US) 2022-11-22 US claimed
US-20250134866-A1 COMMENSAL SIGNALLING COMPOUNDS FOR TREATING OR PREVENTING MICROBIOME DYSFUNCTION IN THE SKIN OR MOUTH Trampota Jan (US) 2025-05-01 US disclosed
CN-114269722-B Ergothioneine, S-methyl-ergothioneine and uses thereof 贝尔维奇生物医学研究所(伊迪贝尔) 2024-11-22 CN disclosed
CN-116897208-A Process for the preparation of ergothioneine 长濑产业株式会社 2023-10-17 CN disclosed
WO-2023150241-A1 COMMENSAL SIGNALLING COMPOUNDS FOR TREATING OR PREVENTING MICROBIOME DYSFUNCTION IN THE SKIN OR MOUTH Trampota Jan (US) 2023-08-10 WO disclosed
US-11504355-B2 Ergothioneine compositions and methods for maintaining and/or increasing vitamin C levels in cells and organisms MIRONOVA INNOVATIONS, LLC (US) 2022-11-22 US disclosed
US-20220265611-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF Consorcio Centro de Investigación Biomédica en Red, M.P. (ES) 2022-08-25 US disclosed
US-20220265611-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF Consorcio Centro de Investigación Biomédica en Red, M.P. (ES) 2022-08-25 US disclosed
EP-4004541-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF Fundació Institut d'Investigació Biomèdica de Bellvitge (IDIBELL) (ES) 2022-06-01 EP disclosed
EP-4004541-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF Fundació Institut d'Investigació Biomèdica de Bellvitge (IDIBELL) (ES) 2022-06-01 EP 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 (1 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-20220265611-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF BHMT2, GNMT, BHMT SLC22A4 157/4885POLB 3203/4885ALPL 1439/4885

“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.