SCHEMBL16553825

SCHEMBL16553825

C[C@H](N)C(=O)Oc1cc(P(=O)(O)O)ccn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 2/20 0.36
▸ FBP1 P09467 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ BIRC2 Q13490 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL16554273 0.78 NNMT (0.33) FBP1ALDH1A1
SCHEMBL359159 0.75 SMN1; SMN2 (0.43) XIAPBIRC2NPC1RAB9ASMN1; SMN2
SCHEMBL3718331 0.75 SMN1; SMN2 (0.43) XIAPBIRC2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9641232 0.74 SMN1; SMN2 (0.42) XIAPBIRC2NPC1RAB9ASMN1; SMN2
SCHEMBL20898577 0.72 ELANE (0.43) RAB9A
SCHEMBL16553709 0.68 — —
SCHEMBL9668770 0.66 ELANE (0.40) —
SCHEMBL17933365 0.66 FDPS (0.38) FDPS
SCHEMBL17933345 0.66 FDPS (0.38) FDPS
SCHEMBL17132071 0.66 UHRF1 (0.46) FDPSALDH1A1TDP1

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 FDPS 3192/4885FBP1 1675/4885XIAP 1632/4885
US-10053476-B2 Phosphohistidine and phosphotyrosine analogues HRH3, CYTH3, CYTH2 FDPS 3105/4885FBP1 1547/4885XIAP 1783/4885

“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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