SCHEMBL1867165

SCHEMBL1867165

NC(Cc1c[nH]c(=S)[nH]1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A4 Q9H015 1/20 0.51
SLC7A5 Q01650 4/20 0.50
CYP3A4 P08684 3/20 0.50
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
BLM P54132 3/20 0.42
PMP22 Q01453 3/20 0.42
KMT2A Q03164 3/20 0.42
HIF1A Q16665 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
MPO P05164 1/20 0.42
PKM P14618 2/20 0.42
PTGS1 P23219 2/20 0.42
ALPI P09923 1/20 0.42
XIAP P98170 1/20 0.42
KDM3B Q7LBC6 1/20 0.40
HSD17B10 Q99714 4/20 0.39
ALOX15 P16050 3/20 0.39

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
SCHEMBL12800006 1.00 SLC22A4 (0.51) SLC22A4SLC7A5CYP3A4KDM4ELMNA
SCHEMBL1867162 1.00 SLC22A4 (0.51) SLC22A4SLC7A5CYP3A4KDM4ELMNA
SCHEMBL26659419 0.81 SLC7A5 (0.51) SLC7A5CYP3A4KDM4ELMNAMAPT
SCHEMBL9604220 0.79 SLC22A4 (0.55) SLC22A4KDM4ELMNAMAPTKMT2A
SCHEMBL27788682 0.79 KMT2A (0.49) SLC7A5CYP3A4KDM4ELMNAMAPT
SCHEMBL5294228 0.77 SMN1; SMN2 (0.47) SLC7A5CYP3A4KDM4ELMNAMAPT
SCHEMBL12039657 0.76 SLC22A4 (0.76) SLC22A4KMT2AKDM3BTDP1POLB
SCHEMBL9604977 0.76 SLC22A4 (0.51) SLC22A4CYP3A4KDM4EKMT2AKDM3B
SCHEMBL15127703 0.76 SLC22A4 (0.51) SLC22A4MAPTKMT2AKDM3BALDH1A1
SCHEMBL12800017 0.76 SLC22A4 (0.51) SLC22A4MAPTKMT2AKDM3BALDH1A1

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
US-7767826-B2 Process for the synthesis of L-(+)-ergothioneine PHARMATECH INTERNATIONAL, INC. (US) 2010-08-03 US claimed
US-20090093642-A1 PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE PHARMATECH INTERNATIONAL, INC. 2009-04-09 US claimed
EP-4326302-A4 SUBSTITUTION OF HISTIDINE WITH 2-THIOHISTIDINE IN BIOACTIVE PEPTIDES University of Vermont and State Agricultural College (US) 2025-03-05 EP disclosed
EP-4326302-A1 SUBSTITUTION OF HISTIDINE WITH 2-THIOHISTIDINE IN BIOACTIVE PEPTIDES University of Vermont and State Agricultural College (US) 2024-02-28 EP disclosed
WO-2024011265-A2 MITOCHONDRIAL ANTIOXIDANT PEPTIDES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-01-11 WO disclosed
WO-2023220754-A1 ANTIOXIDANT DERIVATIVE OF HYALURONIC ACID UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2023-11-16 WO disclosed
EP-2486019-B1 METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE TETRAHEDRON (FR) 2015-03-25 EP disclosed
US-8835477-B2 Method for the synthesis of 2-thiohistidine and the like TETRAHEDRON (FR) 2014-09-16 US disclosed
US-8835477-B2 Method for the synthesis of 2-thiohistidine and the like TETRAHEDRON (FR) 2014-09-16 US disclosed
US-8835477-B2 Method for the synthesis of 2-thiohistidine and the like TETRAHEDRON (FR) 2014-09-16 US disclosed
US-20120330029-A1 METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE TETRAHEDRON (FR) 2012-12-27 US disclosed
US-20120330029-A1 METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE TETRAHEDRON (FR) 2012-12-27 US disclosed
US-20120330029-A1 METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE TETRAHEDRON (FR) 2012-12-27 US disclosed
US-7935359-B2 Decoloring skin blemishes; nontoxic, nonirritating, nonallergenic LVMH RECHERCHE (FR) 2011-05-03 US disclosed
WO-2011042478-A1 METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE TETRAHEDRON (FR) 2011-04-14 WO disclosed
US-20080161377-A1 Use of L-2-thiohistidine or one of its derivatives as a depigmenting agent in cosmetics LVMH RECHERCHE (FR) 2008-07-03 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 (2 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-20120330029-A1 METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE TST, CTH, TPMT SLC22A4 1293/4885SLC7A5 418/4885CYP3A4 153/4885
US-20090093642-A1 PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE TTPA, DTYMK, TST SLC22A4 2504/4885SLC7A5 205/4885CYP3A4 1118/4885

“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.