SCHEMBL16553693

SCHEMBL16553693

O=C(O)N[C@@H](Cn1cc(P(=O)(O)O)cn1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ MDM4 O15151 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ ACHE P22303 2/20 0.31
▸ GGH Q92820 1/20 0.31
▸ MDM2 Q00987 1/20 0.30

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
SCHEMBL17933364 0.80 GRIA1 (0.42) —
SCHEMBL17933369 0.72 ACHE (0.36) ACHE
SCHEMBL17933331 0.72 ACHE (0.38) ACHE
SCHEMBL18534192 0.70 ITGA4 (0.38) MDM4TP53
SCHEMBL18534153 0.69 MAPT (0.39) —
SCHEMBL17933380 0.69 GRIA1 (0.41) ACHE
SCHEMBL16553933 0.67 ITGB1 (0.37) GGH
SCHEMBL18179099 0.66 L3MBTL1 (0.53) —
SCHEMBL16554003 0.65 ITGB1 (0.35) GGH
SCHEMBL17936290 0.64 GRIA1 (0.37) ACHE

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 GRN 2441/4885SORT1 4362/4885MDM4 854/4885
US-10053476-B2 Phosphohistidine and phosphotyrosine analogues HRH3, CYTH3, CYTH2 GRN 2551/4885SORT1 4378/4885MDM4 811/4885

“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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