SCHEMBL19077814

SCHEMBL19077814

CCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.79
▸ EPHX2 P34913 1/20 0.60
▸ ITGB2 P05107 3/20 0.57
▸ ICAM1 P05362 3/20 0.57
▸ ITGAL P20701 3/20 0.57
▸ FAAH O00519 2/20 0.55
▸ CNR1 P21554 2/20 0.55
▸ CNR2 P34972 2/20 0.55
▸ SLC15A2 Q16348 1/20 0.55
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CYP3A4 P08684 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SLC7A5 Q01650 1/20 0.49
▸ AGTR2 P50052 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL9664616 0.96 SLC6A5 (0.85) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL9664374 0.95 SLC6A5 (0.87) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL15650015 0.95 SLC6A5 (0.87) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL28341177 0.95 SLC6A5 (0.87) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL4348859 0.95 SLC6A5 (0.87) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL15649758 0.95 SLC6A5 (0.87) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL17204083 0.95 SLC6A5 (0.87) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL17817155 0.95 SLC6A5 (0.87) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL22034112 0.95 SLC6A5 (0.87) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL13279669 0.95 SLC6A5 (0.87) SLC6A5EPHX2ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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

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-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES AHCYL1, CBS, H1-5 SLC6A5 363/4885EPHX2 824/4885ITGB2 3128/4885

“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.

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