SCHEMBL19085619

SCHEMBL19085619

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.41
CYP3A4 P08684 1/20 0.41
GRIA1 P42261 4/20 0.35
GRIA2 P42262 4/20 0.35
GRIA3 P42263 4/20 0.35
GRIA4 P48058 4/20 0.35
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
TYR P14679 5/20 0.34
GRB2 P62993 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK4 Q16099 2/20 0.33
GRIK5 Q16478 2/20 0.33

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
SCHEMBL19997403 1.00 SLC7A5 (0.41) SLC7A5CYP3A4GRIA1GRIA2GRIA3
SCHEMBL19085728 1.00 SLC7A5 (0.41) SLC7A5CYP3A4GRIA1GRIA2GRIA3
SCHEMBL17308684 0.86 SLC7A5 (0.43) SLC7A5CYP3A4GRIA1GRIA2GRIA3
SCHEMBL17293237 0.86 SLC7A5 (0.43) SLC7A5CYP3A4GRIA1GRIA2GRIA3
SCHEMBL17308624 0.86 SLC7A5 (0.43) SLC7A5CYP3A4GRIA1GRIA2GRIA3
SCHEMBL17308685 0.83 SLC7A5 (0.47) SLC7A5CYP3A4GRIA1GRIA2GRIA3
SCHEMBL17292902 0.81 PAK1 (0.44) SLC7A5CYP3A4GRIK1GRIK2
SCHEMBL17308623 0.79 SLC7A5 (0.42) SLC7A5CYP3A4ALPIPKMPTGS1
SCHEMBL19085586 0.78 SLC7A5 (0.41) SLC7A5CYP3A4GRIA1GRIA2GRIA3
SCHEMBL5795469 0.76 SLC7A5 (0.46) SLC7A5CYP3A4GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SLC7A5 79/4885CYP3A4 2019/4885GRIA1 2888/4885

“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.