SCHEMBL23493232

SCHEMBL23493232

O=C1C=CN([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)C(O)C2F)C(O)N1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 7/20 0.52
▸ P2RY6 Q15077 5/20 0.52
▸ P2RY14 Q15391 5/20 0.52

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
SCHEMBL25586296 0.79 DNPH1 (0.51) P2RY6
SCHEMBL22863025 0.76 P2RY2 (0.56) P2RY6P2RY14
SCHEMBL18512787 0.75 P2RY2 (0.45) P2RY6P2RY14
SCHEMBL21742396 0.74 P2RY6 (0.83) NT5EP2RY6P2RY14
SCHEMBL22607099 0.72 P2RY2 (0.60) P2RY6P2RY14
SCHEMBL18512916 0.70 LMNA (0.41) P2RY6
SCHEMBL21742490 0.69 P2RY6 (1.00) NT5EP2RY6P2RY14
SCHEMBL23493260 0.69 P2RY6 (1.00) NT5EP2RY6P2RY14
SCHEMBL23921555 0.68 P2RY2 (0.38) P2RY6
SCHEMBL25719815 0.68 P2RY2 (0.48) P2RY6P2RY14

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-20210169911-A1 PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-10 — — 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-20210169911-A1 PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS NUDT1, NTPCR, NT5C2 NT5E 11/4885P2RY6 70/4885P2RY14 223/4885

“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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