SCHEMBL17933339

SCHEMBL17933339

CC(=O)[C@@H](N)Cc1ncc(P(=O)(O)O)cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ SLC7A5 Q01650 1/20 0.31
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL17936285 0.85 SLC7A5 (0.45) PTPRCHSD17B10CYP3A4SLC7A5PTPN1
SCHEMBL17933354 0.81 ALDH1A1 (0.33) —
SCHEMBL17933371 0.80 GRM8 (0.30) —
SCHEMBL17933334 0.80 FDPS (0.36) PTPRCHSD17B10SLC7A5PTPN1
SCHEMBL17933350 0.80 GRM8 (0.30) —
SCHEMBL17933343 0.75 FDPS (0.38) PTPRCHSD17B10CYP3A4SLC7A5PTPN1
SCHEMBL17656768 0.75 PTPRC (0.46) PTPRCHSD17B10SLC7A5PTPN1
SCHEMBL17933365 0.73 FDPS (0.38) PTPRCHSD17B10
SCHEMBL17933352 0.73 PTPRC (0.31) PTPRCHSD17B10
SCHEMBL17933353 0.73 CYP1A2 (0.36) HSD17B10

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 PTPRC 75/4885HSD17B10 4295/4885CYP3A4 3710/4885

“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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