SCHEMBL16554275

SCHEMBL16554275

CC(Nc1ccc(P(=O)=O)cn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.46
HCAR2 Q8TDS4 2/20 0.40
DGAT1 O75907 1/20 0.36
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
FDPS P14324 2/20 0.33
FDFT1 P37268 1/20 0.33
MAPK1 P28482 1/20 0.32
DEGS1 O15121 1/20 0.32

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
SCHEMBL16554276 1.00 HCAR3 (0.46) HCAR3HCAR2DGAT1MAPTRAB9A
SCHEMBL3535967 0.79 DEGS1 (0.50) HCAR3HCAR2DEGS1
SCHEMBL29203312 0.79 RAB9A (0.56) HCAR3HCAR2MAPTRAB9AALDH1A1
SCHEMBL3535964 0.79 DEGS1 (0.50) HCAR3HCAR2DEGS1
SCHEMBL4208146 0.78 FDPS (0.55) HCAR3MAPTRAB9AALDH1A1FDPS
SCHEMBL16553828 0.77 KDM4C (0.40) HCAR3ALDH1A1SCN9AKDM4CFDPS
SCHEMBL16553830 0.77 KDM4C (0.40) HCAR3ALDH1A1SCN9AKDM4CFDPS
SCHEMBL17925373 0.74 HCAR3 (0.45) HCAR3HCAR2DGAT1RAB9AALDH1A1
SCHEMBL44234 0.70 POLB (0.55) RAB9AALDH1A1FDPS
SCHEMBL503092 0.70 POLB (0.55) RAB9AALDH1A1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053476-B2 Phosphohistidine and phosphotyrosine analogues UNIVERSITY OF SHEFFIELD (GB) 2018-08-21 US disclosed
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
EP-2976346-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES University of Sheffield (GB) 2016-01-27 EP 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 (2 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 HCAR3 1347/4885HCAR2 1612/4885DGAT1 4809/4885
US-10053476-B2 Phosphohistidine and phosphotyrosine analogues HRH3, CYTH3, CYTH2 HCAR3 1360/4885HCAR2 1623/4885DGAT1 4818/4885

“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.