SCHEMBL17933346

SCHEMBL17933346

CC(=O)[C@@H](N)Cc1ncc(P(=O)(O)O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ FDPS P14324 1/20 0.31
▸ GRM8 O00222 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ PTPRC P08575 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
SCHEMBL17936274 0.86 SLC7A5 (0.43) HSD17B10GRM8GRM4PTPRC
SCHEMBL17933349 0.83 SCN10A (0.39) SCN10AFDPS
SCHEMBL16561821 0.82 FDPS (0.32) FDPS
SCHEMBL17933339 0.72 PTPRC (0.31) HSD17B10PTPRC
SCHEMBL17933334 0.72 FDPS (0.36) HSD17B10FDPSPTPRC
SCHEMBL17933348 0.70 GRM8 (0.33) FDPSGRM8GRM4PTPRC
SCHEMBL17933342 0.70 PTPRC (0.30) PTPRC
SCHEMBL17656768 0.69 PTPRC (0.46) HSD17B10PTPRC
SCHEMBL17933350 0.69 GRM8 (0.30) GRM8GRM4
SCHEMBL17933371 0.69 GRM8 (0.30) GRM8GRM4

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 SCN10A 2482/4885HSD17B10 4295/4885FDPS 3192/4885

“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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