SCHEMBL17292902

SCHEMBL17292902

CCCCCSc1nc[nH]c1C[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.44
HAO1 Q9UJM8 1/20 0.41
KDM6B O15054 3/20 0.41
KDM4A O75164 3/20 0.41
KDM4D Q6B0I6 3/20 0.41
KDM3B Q7LBC6 3/20 0.41
HIF1AN Q9NWT6 3/20 0.41
KDM5B Q9UGL1 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
CYP3A4 P08684 1/20 0.39
SLC7A5 Q01650 1/20 0.39
XDH P47989 2/20 0.38
GPR84 Q9NQS5 2/20 0.38
CYP1A2 P05177 1/20 0.37
RECQL P46063 1/20 0.37
GRM5 P41594 1/20 0.36
GRIK1 P39086 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GRIK2 Q13002 1/20 0.35

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
SCHEMBL19085728 0.81 SLC7A5 (0.41) CYP3A4SLC7A5GRIK1GRIK2
SCHEMBL19085619 0.81 SLC7A5 (0.41) CYP3A4SLC7A5GRIK1GRIK2
SCHEMBL19997403 0.81 SLC7A5 (0.41) CYP3A4SLC7A5GRIK1GRIK2
SCHEMBL17292899 0.80 KDM6B (0.41) PAK1HAO1KDM6BKDM4AKDM4D
SCHEMBL17292900 0.80 KDM6B (0.41) PAK1HAO1KDM6BKDM4AKDM4D
SCHEMBL17308685 0.80 SLC7A5 (0.47) CYP3A4SLC7A5CYP1A2RECQLGRIK1
SCHEMBL17308684 0.78 SLC7A5 (0.43) CYP3A4SLC7A5RECQL
SCHEMBL17308624 0.78 SLC7A5 (0.43) CYP3A4SLC7A5RECQL
SCHEMBL17293237 0.78 SLC7A5 (0.43) CYP3A4SLC7A5RECQL
SCHEMBL19085586 0.75 SLC7A5 (0.41) CYP3A4SLC7A5CYP1A2GRIK1GRIK2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20180258077-A1 5-SULFANYLHISTIDINES AND THEIR DISULFIDES AND METHOD OF PREPARATION THEREOF TETRAHEDRON (FR) 2018-09-13 US claimed
US-9926300-B2 5-acylsulfanyl-histidine compounds as precursors of the corresponding 5-sulfanylhistidines and their disulfides TETRAHEDRON (FR) 2018-03-27 US claimed
US-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES TETRAHEDRON (FR) 2017-07-06 US claimed
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 claimed
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 claimed
EP-4166658-A1 DIATOM-BASED GENETIC ENGINEERING SYSTEM METHODOLOGY FOR THE ECO-SUSTAINABLE PRODUCTION OF OVOTHIOLS Stazione Zoologica Anton Dohrn (IT) 2023-04-19 EP disclosed
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-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-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
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
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-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES TETRAHEDRON (FR) 2017-07-06 US disclosed
CN-106573895-A Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2017-04-19 CN disclosed
CN-106573895-A Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2017-04-19 CN 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
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
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 PAK1 3811/4885HAO1 494/4885KDM6B 1079/4885
US-20180258077-A1 5-SULFANYLHISTIDINES AND THEIR DISULFIDES AND METHOD OF PREPARATION THEREOF CBS, SRM, AHCYL1 PAK1 3446/4885HAO1 719/4885KDM6B 850/4885

“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.