SCHEMBL7254623

SCHEMBL7254623

C[N+](C)(C)[C@@H](Cc1c[nH]c(S)n1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A4 Q9H015 1/20 0.35
POLB P06746 2/20 0.34
ALPL P05186 1/20 0.34
ALPG P10696 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL7254628 1.00 SLC22A4 (0.35) SLC22A4POLBALPLALPGGAA
Water SCHEMBL15121340 0.98 SLC22A4 (0.34) SLC22A4POLBALPLALPGGAA
SCHEMBL19499931 0.88 SLC22A4 (0.35) SLC22A4POLBALPLALPGGAA
SCHEMBL188141 0.87 SLC22A4 (0.49) SLC22A4POLBALPLALPGGAA
SCHEMBL19928438 0.83 SLC22A4 (0.35) SLC22A4POLBALPLALPGGAA
SCHEMBL18072719 0.80 APAF1 (0.41) POLB
SCHEMBL18052196 0.80 APAF1 (0.41) POLB
SCHEMBL1065159 0.76 SLC7A5 (0.45) POLB
SCHEMBL19499928 0.76 SLC22A4 (0.32) SLC22A4POLBALPLALPGGAA
SCHEMBL1670197 0.74 CYP3A4 (0.33) SLC22A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908854-B2 Process for synthesizing ergothioneine and related compounds UNIVERSITY OF CAPE TOWN (ZA) 2018-03-06 US disclosed
US-20170305865-A1 PROCESS FOR SYNTHESIZING ERGOTHIONEINE AND RELATED COMPOUNDS UNIVERSITY OF CAPE TOWN (ZA) 2017-10-26 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
WO-2016149090-A1 NALPHA, NALPHA, NALPHA-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS MIRONOVA INNOVATIONS, LLC (US) 2016-09-22 WO 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-2016046618-A1 PROCESS FOR SYNTHESIZING ERGOTHIONEINE AND RELATED COMPOUNDS UNIVERSITY OF CAPE TOWN (ZA) 2016-03-31 WO disclosed
US-20150225755-A1 Ergothioneine Production Through Metabolic Engineering ERGO HEALTH LLC 2015-08-13 US disclosed
US-6635802-B1 Culturing mammalian cell population in serum starvation media containing apoptosis inhibitor to increase number of cells at G0/G1 stage of cell cycle within cell population, increasing number of nuclear transfer competent cells THE TEXAS A&M UNIVERSITY SYSTEM 2003-10-21 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 (4 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-20170305865-A1 PROCESS FOR SYNTHESIZING ERGOTHIONEINE AND RELATED COMPOUNDS CTH, FTH1, TXN SLC22A4 1267/4885POLB 2904/4885ALPL 3664/4885
US-20150225755-A1 Ergothioneine Production Through Metabolic Engineering HNMT, SHMT1, TST SLC22A4 447/4885POLB 3901/4885ALPL 3279/4885
US-20170050933-A1 Nalpha, Nalpha, Nalpha-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS HNMT, TTPA, FTH1 SLC22A4 525/4885POLB 2834/4885ALPL 1606/4885
US-20160264530-A1 NALPHA, NALPHA, NALPHA-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS HNMT, TTPA, FTH1 SLC22A4 525/4885POLB 2834/4885ALPL 1606/4885

“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.