SCHEMBL16561821

SCHEMBL16561821

NC(N)Cc1ncc(P(=O)(O)O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.32
▸ LAP3 P28838 3/20 0.30
▸ ANPEP P15144 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
SCHEMBL17933349 0.86 SCN10A (0.39) FDPS
SCHEMBL3277117 0.67 FDPS (0.47) FDPS
SCHEMBL16561817 0.67 FDPS (0.40) FDPSLAP3ANPEP
SCHEMBL16561826 0.64 FDPS (0.31) FDPSLAP3ANPEP
SCHEMBL16561819 0.63 FBP1 (0.34) —
SCHEMBL16561825 0.63 — —
SCHEMBL17933354 0.57 ALDH1A1 (0.33) FDPSLAP3ANPEP
SCHEMBL4727723 0.54 HMBS (0.46) —
SCHEMBL20900382 0.54 — —
SCHEMBL20379780 0.52 CA2 (0.33) —

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 2 patents. 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
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 (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 FDPS 3192/4885LAP3 1664/4885ANPEP 124/4885

“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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