SCHEMBL16561806

SCHEMBL16561806

N[C@@H](Cc1cc(P(=O)(O)O)[nH]n1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYTH3 O43739 1/20 0.49
▸ BTK Q06187 1/20 0.49
▸ EPN1 Q9Y6I3 1/20 0.49
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ SLC7A5 Q01650 1/20 0.39
▸ PTPRC P08575 1/20 0.38
▸ USP2 O75604 2/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17933377 0.81 CYTH3 (0.44) CYTH3BTKEPN1CYP1A2NFKB1
SCHEMBL17936274 0.71 SLC7A5 (0.43) CYP3A4SLC7A5PTPRCPKMHSD17B10
SCHEMBL15469210 0.71 SLC7A5 (0.38) CYP1A2CYP3A4SLC7A5USP2RGS12
SCHEMBL16561804 0.70 CYP1A2 (0.44) CYP1A2CYP3A4SLC7A5PTPRCPKM
SCHEMBL16553774 0.69 CYP1A2 (0.47) CYP1A2SLC7A5PTPRCPKMHSD17B10
SCHEMBL17936273 0.69 CYP1A2 (0.47) CYP1A2SLC7A5PTPRCPKMHSD17B10
SCHEMBL17936282 0.69 CYP1A2 (0.50) CYP1A2CYP3A4SLC7A5PTPRCUSP2
SCHEMBL17936286 0.68 CYP1A2 (0.42) CYP1A2CYP3A4SLC7A5PTPRCPKM
Histidine SCHEMBL503659 0.68 SLC7A5 (0.43) CYP1A2CYP3A4SLC7A5PTPRCPKM
Histidine SCHEMBL15670767 0.68 SLC7A5 (0.43) CYP1A2CYP3A4SLC7A5PTPRCPKM

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 4 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
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 CYTH3 2/4885BTK 147/4885EPN1 2456/4885

“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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