SCHEMBL16553933

SCHEMBL16553933

O=C(O)N[C@@H](Cc1ccc(P(=O)(O)O)cn1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 4/20 0.37
▸ ITGA5 P08648 3/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ITGB2 P05107 2/20 0.35
▸ ICAM1 P05362 2/20 0.35
▸ ITGAL P20701 2/20 0.35
▸ FDPS P14324 1/20 0.34
▸ PTPRA P18433 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ GPR132 Q9UNW8 2/20 0.34
▸ ITGA4 P13612 1/20 0.33
▸ GGH Q92820 1/20 0.33
▸ PIN1 Q13526 1/20 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
SCHEMBL16561804 0.78 CYP1A2 (0.44) PTPN1
SCHEMBL15708508 0.75 PTPRA (0.61) FDPSPTPRAGPR132
SCHEMBL16561817 0.74 FDPS (0.40) FDPSPTPRA
SCHEMBL17933370 0.72 FDPS (0.38) FDPS
SCHEMBL17933334 0.71 FDPS (0.36) FDPSPTPN1
SCHEMBL17925378 0.70 ITGB3 (0.43) ITGB1ITGB3ITGAVPTPN1ITGA4
SCHEMBL16554003 0.68 ITGB1 (0.35) ITGB1ITGA5L3MBTL1PTPN1GGH
Hydrochloric Acid SCHEMBL28981170 0.67 CA2 (0.34) FDPS
SCHEMBL16553693 0.67 GRN (0.36) GGH
SCHEMBL11915445 0.66 PPARA (0.50) ITGB3PTPN1ITGA4

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 5 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
US-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2016-07-21 — — US disclosed
EP-2976346-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES University of Sheffield (GB) 2016-01-27 — — EP 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 ITGB1 1599/4885ITGA5 322/4885ITGB3 1279/4885
US-10053476-B2 Phosphohistidine and phosphotyrosine analogues HRH3, CYTH3, CYTH2 ITGB1 1746/4885ITGA5 362/4885ITGB3 1446/4885

“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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