SCHEMBL16561817

SCHEMBL16561817

NC(N)Cc1ccc(P(=O)(O)O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.40
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ LAP3 P28838 3/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PTPRA P18433 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
SCHEMBL17933370 0.87 FDPS (0.38) FDPSESR1ESR2LAP3ANPEP
SCHEMBL16561804 0.84 CYP1A2 (0.44) CYP1A2
SCHEMBL17933334 0.83 FDPS (0.36) FDPSESR1ESR2CYP1A2
Hydrochloric Acid SCHEMBL28981170 0.79 CA2 (0.34) FDPSCA2CA4CA5A
SCHEMBL16553933 0.74 ITGB1 (0.37) FDPSPTPRA
SCHEMBL16561826 0.74 FDPS (0.31) FDPSLAP3ANPEP
SCHEMBL25169259 0.69 CA2 (0.42) CA2CA4CA5A
SCHEMBL8607426 0.67 CA2 (0.41) CA2CA4CA5A
SCHEMBL16561821 0.67 FDPS (0.32) FDPSLAP3ANPEP
SCHEMBL17933354 0.67 ALDH1A1 (0.33) FDPSLAP3ANPEPMEN1CYP1A2

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 2 patents. 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
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 FDPS 3192/4885ESR1 2908/4885ESR2 2805/4885

“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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