SCHEMBL17936294

SCHEMBL17936294

N[C@@H](Cc1ncc(P(=O)(O)O)nn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GRM8 O00222 2/20 0.39
▸ GRM4 Q14833 2/20 0.39
▸ PTPRC P08575 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ SLC1A3 P43003 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ GRIA1 P42261 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ GRIA3 P42263 1/20 0.36
▸ GRIA4 P48058 1/20 0.36

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
SCHEMBL17936302 1.00 SLC7A5 (0.39) SLC7A5HSD17B10CYP3A4GRM8GRM4
SCHEMBL17933350 0.87 GRM8 (0.30) GRM8GRM4
SCHEMBL17933371 0.87 GRM8 (0.30) GRM8GRM4
SCHEMBL17936285 0.80 SLC7A5 (0.45) SLC7A5HSD17B10CYP3A4PTPRCSLC1A3
SCHEMBL17936284 0.78 HSD17B10 (0.41) SLC7A5HSD17B10CYP3A4PTPRCCYP1A2
SCHEMBL17936286 0.77 CYP1A2 (0.42) SLC7A5HSD17B10CYP3A4PTPRCCYP1A2
SCHEMBL17936298 0.75 HSD17B10 (0.41) HSD17B10PTPRCCYP1A2
SCHEMBL31754299 0.70 SLC7A5 (0.45) SLC7A5HSD17B10CYP3A4CYP1A2SLC1A3
SCHEMBL17936293 0.70 CYP3A4 (0.42) SLC7A5HSD17B10CYP3A4PTPRCCYP1A2
SCHEMBL27208015 0.68 SLC7A5 (0.42) SLC7A5HSD17B10CYP3A4CYP1A2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2016-07-21 — — 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-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES HRH3, CYTH3, CYTH2 SLC7A5 2977/4885HSD17B10 4295/4885CYP3A4 3710/4885

“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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