SCHEMBL13201944

SCHEMBL13201944

COC(=O)[C@H](CC(=O)CNC(=O)c1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
GPR139 Q6DWJ6 1/20 0.49
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.47
CYP26A1 O43174 1/20 0.46
CTSL P07711 5/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
CTSB P07858 1/20 0.45
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44

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
SCHEMBL2949360 0.85 GAA (0.50) GAARAB9ALMNAGPR139CTSL
SCHEMBL23967346 0.85 GAA (0.54) GAARAB9AALDH1A1LMNAGLA
SCHEMBL13868571 0.84 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL29067682 0.84 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL4896289 0.84 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL24130633 0.84 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL24130632 0.84 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL5672076 0.80 GAA (0.56) GAARAB9AALDH1A1LMNAGLA
SCHEMBL10024019 0.80 GAA (0.56) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3679721 0.80 RAB9A (0.59) GAARAB9AALDH1A1LMNAGLA

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 4 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 disclosed
US-7767826-B2 Process for the synthesis of L-(+)-ergothioneine PHARMATECH INTERNATIONAL, INC. (US) 2010-08-03 US disclosed
US-20090093642-A1 PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE PHARMATECH INTERNATIONAL, INC. 2009-04-09 US disclosed
US-20090093642-A1 PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE PHARMATECH INTERNATIONAL, INC. 2009-04-09 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 (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 GAA 2322/4885RAB9A 4516/4885ALDH1A1 2951/4885

“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.