SCHEMBL17293243

SCHEMBL17293243

N[C@H](Cc1nc[nH]c1S)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.49
CYP3A4 P08684 2/20 0.49
GRIA2 P42262 5/20 0.44
GRIA1 P42261 4/20 0.44
GRIA3 P42263 4/20 0.44
GRIA4 P48058 4/20 0.44
GRIK1 P39086 1/20 0.44
PKM P14618 2/20 0.41
ALPI P09923 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL17002134 1.00 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL17292897 1.00 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL20609493 0.81 ALDH1A1 (0.34) SLC7A5CYP3A4KDM4EGABRR1ALDH1A1
SCHEMBL28170278 0.80 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL8697806 0.80 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL7535154 0.80 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL2815963 0.80 GABRR1 (0.57) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL8701267 0.80 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL2815970 0.80 GABRR1 (0.57) SLC7A5CYP3A4GRIA2GRIA1GRIA3
Hydrochloric Acid SCHEMBL25273661 0.79 GABRR1 (0.56) SLC7A5CYP3A4GRIA2GRIA1GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112194632-A Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2021-01-08 CN disclosed
CN-106573895-B Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2020-11-24 CN disclosed
US-20180258077-A1 5-SULFANYLHISTIDINES AND THEIR DISULFIDES AND METHOD OF PREPARATION THEREOF TETRAHEDRON (FR) 2018-09-13 US disclosed
US-9926300-B2 5-acylsulfanyl-histidine compounds as precursors of the corresponding 5-sulfanylhistidines and their disulfides TETRAHEDRON (FR) 2018-03-27 US disclosed
US-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES TETRAHEDRON (FR) 2017-07-06 US disclosed
EP-3148973-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF Tetrahedron (FR) 2017-04-05 EP disclosed
WO-2015181507-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF TETRAHEDRON (FR) 2015-12-03 WO 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-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES AHCYL1, CBS, H1-5 SLC7A5 79/4885CYP3A4 2019/4885GRIA2 3225/4885
US-20180258077-A1 5-SULFANYLHISTIDINES AND THEIR DISULFIDES AND METHOD OF PREPARATION THEREOF CBS, SRM, AHCYL1 SLC7A5 117/4885CYP3A4 1075/4885GRIA2 3393/4885

“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.