SCHEMBL16561852

SCHEMBL16561852

N[C@@H](Cc1ncc(P(=O)(O)O)s1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM8 O00222 1/20 0.42
▸ GRM4 Q14833 1/20 0.42
▸ SLC7A5 Q01650 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PTPRC P08575 1/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ XIAP P98170 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL17933348 0.86 GRM8 (0.33) GRM8GRM4PTPRC
SCHEMBL17933366 0.81 FDPS (0.35) —
SCHEMBL17925377 0.78 GRIA1 (0.40) GRM8GRM4SLC7A5HSD17B10CYP3A4
SCHEMBL25221972 0.78 SLC7A5 (0.41) SLC7A5HSD17B10CYP3A4SLC1A3ALPI
SCHEMBL16561815 0.73 SLC7A5 (0.43) SLC7A5HSD17B10CYP3A4PTPRCALPI
SCHEMBL18534263 0.72 HDAC6 (0.42) —
SCHEMBL17936286 0.72 CYP1A2 (0.42) SLC7A5HSD17B10CYP3A4PTPRCSLC1A3
SCHEMBL15469208 0.72 SLC7A5 (0.35) GRM8GRM4SLC7A5HSD17B10CYP3A4
SCHEMBL17936285 0.71 SLC7A5 (0.45) SLC7A5HSD17B10CYP3A4PTPRCSLC1A3
SCHEMBL17936274 0.69 SLC7A5 (0.43) GRM8GRM4SLC7A5HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053476-B2 Phosphohistidine and phosphotyrosine analogues UNIVERSITY OF SHEFFIELD (GB) 2018-08-21 — — US disclosed
EP-2976346-B1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIV SHEFFIELD (GB) 2017-02-22 — — EP disclosed
EP-2976346-B1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIV SHEFFIELD (GB) 2017-02-22 — — EP disclosed
US-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2016-07-21 — — US disclosed
US-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2016-07-21 — — US disclosed
US-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2016-07-21 — — US disclosed
WO-2015033120-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2015-03-12 — — WO 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 (2 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 GRM8 4398/4885GRM4 3973/4885SLC7A5 2977/4885
US-10053476-B2 Phosphohistidine and phosphotyrosine analogues HRH3, CYTH3, CYTH2 GRM8 4479/4885GRM4 4057/4885SLC7A5 2934/4885

“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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