SCHEMBL17933349

SCHEMBL17933349

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.35
▸ HRH4 Q9H3N8 3/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ FDPS P14324 2/20 0.33
▸ SCN5A Q14524 2/20 0.32
▸ TAAR1 Q96RJ0 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SLC6A2 P23975 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
SCHEMBL16561821 0.86 FDPS (0.32) FDPS
SCHEMBL17933354 0.69 ALDH1A1 (0.33) ALDH1A1HRH4HRH3MEN1GLA
SCHEMBL17933377 0.69 CYTH3 (0.44) ALDH1A1HRH4HRH3MEN1GLA
SCHEMBL17933370 0.69 FDPS (0.38) ALDH1A1HRH4HRH3MEN1GLA
SCHEMBL3277117 0.69 FDPS (0.47) HRH4LMNAFDPS
SCHEMBL17933366 0.67 FDPS (0.35) ALDH1A1HRH4HRH3MEN1GLA
SCHEMBL17933360 0.67 ALDH1A1 (0.32) ALDH1A1HRH4HRH3MEN1GLA
SCHEMBL17933355 0.66 FBP1 (0.38) —
SCHEMBL17933358 0.66 ALDH1A1 (0.31) ALDH1A1HRH4HRH3MEN1GLA
SCHEMBL13801486 0.62 HRH4 (0.48) SCN10AALDH1A1HRH4HRH3MEN1

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 2482/4885ALDH1A1 4655/4885HRH4 5/4885

“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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