SCHEMBL17933366

SCHEMBL17933366

C[C@@H](N)Cc1ncc(P(=O)(O)O)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 7/20 0.35
▸ ALDH1A1 P00352 4/20 0.32
▸ HRH4 Q9H3N8 3/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ FBP1 P09467 3/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ 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
SCHEMBL17933348 0.83 GRM8 (0.33) FDPS
SCHEMBL16561852 0.81 GRM8 (0.42) —
SCHEMBL14895223 0.74 NOS1 (0.45) FDPSALDH1A1HRH4HRH3MEN1
SCHEMBL17933360 0.70 ALDH1A1 (0.32) FDPSALDH1A1HRH4HRH3MEN1
SCHEMBL9304652 0.70 ADRB2 (0.54) TAAR1SLC6A2
SCHEMBL17933354 0.69 ALDH1A1 (0.33) FDPSALDH1A1HRH4HRH3MEN1
SCHEMBL9304988 0.69 ADRB2 (0.35) SMYD3BLM
SCHEMBL1097311 0.69 GAA (0.42) ALDH1A1FBP1
SCHEMBL9303995 0.68 ADRB2 (0.55) FDPSALDH1A1LMNATDP1
SCHEMBL9303990 0.68 ADRB2 (0.55) FDPSALDH1A1LMNATDP1

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 FDPS 3192/4885ALDH1A1 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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