SCHEMBL8957248

SCHEMBL8957248

CCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.48
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
FAAH O00519 2/20 0.44
NOD1 Q9Y239 3/20 0.44
ALDH1A1 P00352 1/20 0.40
PIN1 Q13526 1/20 0.39
CPB2 Q96IY4 1/20 0.38
ITGAV P06756 1/20 0.38
ITGB6 P18564 1/20 0.38
PSMB5 P28074 1/20 0.38
CTSB P07858 1/20 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
SCHEMBL8957242 1.00 SLC6A5 (0.48) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL9664622 0.96 SLC6A5 (0.53) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL9664611 0.96 SLC6A5 (0.53) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL9664371 0.95 SLC6A5 (0.54) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL20956613 0.95 SLC6A5 (0.54) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL9664377 0.95 SLC6A5 (0.54) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL17203886 0.95 SLC6A5 (0.54) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL13279668 0.95 SLC6A5 (0.54) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL19138238 0.95 SLC6A5 (0.54) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL19138207 0.95 SLC6A5 (0.54) SLC6A5ITGB3ITGA2BFAAHNOD1

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 12 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 claimed
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
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
US-20250339370-A1 PERFORMANCE-ENHANCING EXCIPIENTS AND METHODS OF REDUCING VISCOSITY AND INCREASING STABILITY OF BIOLOGIC FORMULATIONS AVANTOR PERFORMANCE MATERIALS, LLC (US) 2025-11-06 US disclosed
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 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
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
EP-0536262-A4 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORP (US) 1996-08-14 EP disclosed
EP-0536262-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 EP 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-20250339370-A1 PERFORMANCE-ENHANCING EXCIPIENTS AND METHODS OF REDUCING VISCOSITY AND INCREASING STABILITY OF BIOLOGIC FORMULATIONS AADAT, KYNU, PNISR SLC6A5 3122/4885ITGB3 3803/4885ITGA2B 3816/4885

“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.