SCHEMBL17933334

SCHEMBL17933334

CC(=O)[C@@H](N)Cc1ccc(P(=O)(O)O)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.36
▸ PTPRC P08575 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TPH1 P17752 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ALPI P09923 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ XIAP P98170 1/20 0.30
▸ SLC7A5 Q01650 1/20 0.30

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
SCHEMBL16561804 0.87 CYP1A2 (0.44) PTPRCHSD17B10TPH1PTPN1CYP1A2
SCHEMBL17933370 0.83 FDPS (0.38) FDPSESR1ESR2
SCHEMBL16561817 0.83 FDPS (0.40) FDPSESR1ESR2CYP1A2
SCHEMBL17933339 0.80 PTPRC (0.31) PTPRCHSD17B10PTPN1SLC7A5
SCHEMBL17933365 0.78 FDPS (0.38) FDPSPTPRCHSD17B10CYP1A2
SCHEMBL17933345 0.78 FDPS (0.38) FDPSPTPRCHSD17B10CYP1A2
SCHEMBL17656768 0.78 PTPRC (0.46) PTPRCESR1ESR2HSD17B10TPH1
SCHEMBL17933342 0.78 PTPRC (0.30) PTPRC
SCHEMBL17933353 0.75 CYP1A2 (0.36) HSD17B10CYP1A2
SCHEMBL16131656 0.73 PTPRA (0.56) FDPSTPH1CYP1A2

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 3192/4885PTPRC 75/4885ESR1 2908/4885

“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.

Send feedback