SCHEMBL23897672

SCHEMBL23897672

O=c1[nH]c(=O)n([C@@H]2O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 8/20 0.47
▸ P2RY2 P41231 4/20 0.47
▸ P2RY14 Q15391 2/20 0.47
▸ NT5E P21589 1/20 0.47
▸ P2RY4 P51582 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLA1 P09884 1/20 0.42

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
SCHEMBL23897774 0.98 P2RY6 (0.48) P2RY6P2RY2P2RY14NT5EP2RY4
SCHEMBL23898226 0.91 P2RY6 (0.45) P2RY6P2RY2P2RY14NT5EP2RY4
SCHEMBL23897725 0.91 P2RY2 (0.45) P2RY6P2RY2P2RY14NT5EP2RY4
SCHEMBL21345973 0.90 P2RY6 (0.52) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL15828227 0.90 P2RY6 (0.49) P2RY6P2RY2P2RY4POLA1
SCHEMBL15828306 0.90 P2RY6 (0.49) P2RY6P2RY2P2RY4POLA1
SCHEMBL23898150 0.90 POLB (0.49) P2RY6P2RY2P2RY4POLA1
SCHEMBL23897801 0.90 P2RY6 (0.47) P2RY6P2RY2P2RY14P2RY4POLA1
SCHEMBL23897496 0.89 DNPH1 (0.52) P2RY6P2RY2P2RY14P2RY4POLA1
SCHEMBL23898281 0.89 P2RY6 (0.42) P2RY6P2RY2P2RY14NT5EP2RY4

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-20210308168-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-07 — — 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-20210308168-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, PRPF4, HPRT1 P2RY6 901/4885P2RY2 1011/4885P2RY14 919/4885

“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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