SCHEMBL17293237

SCHEMBL17293237

CC(=O)Sc1nc[nH]c1C[C@H](N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.43
CYP3A4 P08684 2/20 0.43
PKM P14618 2/20 0.39
PTGS1 P23219 2/20 0.39
ALPI P09923 1/20 0.39
XIAP P98170 1/20 0.39
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HIF1A Q16665 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
KMT2A Q03164 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
MPO P05164 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL17308624 1.00 SLC7A5 (0.43) SLC7A5CYP3A4PKMPTGS1ALPI
SCHEMBL17308684 1.00 SLC7A5 (0.43) SLC7A5CYP3A4PKMPTGS1ALPI
SCHEMBL19085619 0.86 SLC7A5 (0.41) SLC7A5CYP3A4PKMPTGS1ALPI
SCHEMBL19997403 0.86 SLC7A5 (0.41) SLC7A5CYP3A4PKMPTGS1ALPI
SCHEMBL19085728 0.86 SLC7A5 (0.41) SLC7A5CYP3A4PKMPTGS1ALPI
SCHEMBL17308685 0.85 SLC7A5 (0.47) SLC7A5CYP3A4PKMPTGS1ALPI
SCHEMBL19085618 0.83 CYP1A2 (0.33) SLC7A5CYP3A4HSD17B10
SCHEMBL17308623 0.81 SLC7A5 (0.42) SLC7A5CYP3A4PKMPTGS1ALPI
SCHEMBL19085586 0.81 SLC7A5 (0.41) SLC7A5CYP3A4PKMPTGS1ALPI
SCHEMBL17308674 0.81 CYP2C19 (0.32) HSD17B10

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 24 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-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
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 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-3666760-B1 5-THIOISTIDINE COMPOUNDS AND METHYLATED DERIVATIVES (OVOTHIOLS) AS INHIBITORS OF GAMMA-GLUTAMYL-TRANSPEPTIDASE (GGT) ACTIVITY STAZIONE ZOOLOGICA ANTON DOHRN (IT) 2023-07-26 EP disclosed
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
EP-3684355-B1 OVOTHIOLS FOR THE TREATMENT OF CHRONIC LOW GRADE SYSTEMIC INFLAMMATION (CLGSI) AND RELATED DISEASES UNIV DEGLI STUDI G DANNUNZIO CHIETI PESCARA (IT) 2021-09-08 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-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-20200276165-A1 OVOTIOLS FOR THE TREATMENT OF CHRONIC LOW-GRADE SYSTEMIC INFLAMMATION (CLGSI) AND RELATED DISEASES UNIVERSITA' DEGLI STUDI G. D'ANNUNZIO CHIETI - PESCARA (IT) 2020-09-03 US disclosed
EP-3666760-A1 5-THIOISTIDINE COMPOUNDS AND METHYLATED DERIVATIVES (OVOTHIOLS) AS INHIBITORS OF GAMMA-GLUTAMYL-TRANSPEPTIDASE (GGT) ACTIVITY Stazione Zoologica "Anton Dohrn" (IT) 2020-06-17 EP 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
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
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
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 SLC7A5 79/4885CYP3A4 2019/4885PKM 3434/4885
US-20200276165-A1 OVOTIOLS FOR THE TREATMENT OF CHRONIC LOW-GRADE SYSTEMIC INFLAMMATION (CLGSI) AND RELATED DISEASES PTGIS, PTGES, AREG SLC7A5 3262/4885CYP3A4 3696/4885PKM 3095/4885

“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.