SCHEMBL16561815

SCHEMBL16561815

N[C@@H](Cc1ccc(P(=O)(O)O)s1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ ALPI P09923 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ PTPRC P08575 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ USP2 O75604 2/20 0.40
▸ RGS12 O14924 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL17933351 0.86 PTPRC (0.33) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL9172559 0.82 SLC7A5 (0.55) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL14780592 0.76 HSD17B10 (0.49) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL11559690 0.75 SLC7A5 (0.47) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL4249865 0.75 SLC7A5 (0.47) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL28318850 0.75 SLC7A5 (0.47) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL8306982 0.75 SLC7A5 (0.47) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL4249863 0.75 SLC7A5 (0.47) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL4242870 0.75 SLC7A5 (0.47) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL4242294 0.75 SLC7A5 (0.47) SLC7A5PKMALPIPTGS1XIAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976346-B1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIV SHEFFIELD (GB) 2017-02-22 — — EP disclosed
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 SLC7A5 2977/4885PKM 2042/4885ALPI 2045/4885

“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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