SCHEMBL2954946

SCHEMBL2954946

C[N+](C)(C)C(Cc1cnc(S)[nH]1)C(=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A4 Q9H015 1/20 0.52
POLB P06746 2/20 0.46
ALPL P05186 1/20 0.46
ALPG P10696 1/20 0.46
GAA P10253 1/20 0.40

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
SCHEMBL188140 1.00 SLC22A4 (0.52) SLC22A4POLBALPLALPGGAA
Water SCHEMBL7254213 0.99 SLC22A4 (0.51) SLC22A4POLBALPLALPGGAA
SCHEMBL19571061 0.87 SLC22A4 (0.38) SLC22A4POLBALPLALPG
SCHEMBL19565055 0.87 SLC22A4 (0.38) SLC22A4POLBALPLALPG
SCHEMBL13201954 0.87 SLC22A4 (0.38) SLC22A4POLBALPLALPG
Zinc Ion SCHEMBL7036582 0.85 SLC22A4 (0.37) SLC22A4POLBALPLALPG
SCHEMBL2218757 0.82 SLC22A4 (0.52) SLC22A4POLBALPLALPGGAA
SCHEMBL29418359 0.82 SLC22A4 (0.52) SLC22A4POLBALPLALPGGAA
SCHEMBL29601603 0.81 SLC22A4 (0.51) SLC22A4POLBALPLALPGGAA
SCHEMBL29705505 0.81 SLC22A4 (0.51) 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 3 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
WO-2009045413-A1 PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE PHARMATECH INTERNATIONAL, INC. (US) 2009-04-09 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 (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-20090093642-A1 PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE TTPA, DTYMK, TST SLC22A4 2504/4885POLB 1148/4885ALPL 3225/4885

“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.