SCHEMBL17936293

SCHEMBL17936293

N[C@@H](Cc1cncc(P(=O)(O)O)n1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.39
▸ PTPRC P08575 1/20 0.38
▸ SLC1A3 P43003 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
SCHEMBL17933341 0.87 — —
SCHEMBL17936286 0.77 CYP1A2 (0.42) CYP3A4SLC7A5CYP1A2HSD17B10PTPRC
SCHEMBL17936284 0.75 HSD17B10 (0.41) CYP3A4SLC7A5CYP1A2HSD17B10PTPRC
SCHEMBL20379773 0.70 MMP1 (0.33) —
SCHEMBL16561804 0.70 CYP1A2 (0.44) CYP3A4SLC7A5CYP1A2HSD17B10PTPRC
SCHEMBL17936302 0.70 SLC7A5 (0.39) CYP3A4SLC7A5CYP1A2HSD17B10PTPRC
SCHEMBL17936294 0.70 SLC7A5 (0.39) CYP3A4SLC7A5CYP1A2HSD17B10PTPRC
SCHEMBL17936281 0.70 SLC7A5 (0.45) CYP3A4SLC7A5HSD17B10PTPRC
SCHEMBL1768807 0.69 CYP1A2 (0.50) CYP3A4SLC7A5CYP1A2HSD17B10SLC1A3
SCHEMBL1768809 0.69 CYP1A2 (0.50) CYP3A4SLC7A5CYP1A2HSD17B10SLC1A3

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 CYP3A4 3710/4885SLC7A5 2977/4885CYP1A2 4128/4885

“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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