SCHEMBL20257686

SCHEMBL20257686

[N-]=[N+]=NC1[C@@H](O)[C@H](N2C=CC(O)NC2=O)O[C@@H]1CI

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 1/20 0.33
▸ P2RY4 P51582 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ P2RY6 Q15077 1/20 0.31

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
SCHEMBL19590180 0.81 PYGM (0.35) —
SCHEMBL6674416 0.72 CDA (0.47) —
SCHEMBL20833069 0.72 CDA (0.47) —
SCHEMBL16855719 0.72 P2RY2 (0.58) P2RY2P2RY4P2RY6
SCHEMBL20356797 0.67 CDA (0.50) —
SCHEMBL19866473 0.63 — —
SCHEMBL20257679 0.61 SLC28A1 (0.68) P2RY2P2RY4P2RY6
SCHEMBL16855712 0.61 SLC28A1 (0.68) P2RY2P2RY4P2RY6
SCHEMBL17929404 0.61 CDA (0.34) —
SCHEMBL23750588 0.61 ALDH1A1 (0.42) ALDH1A1

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-10683321-B2 4′-or nucleosides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2020-06-16 — — US disclosed
US-20180162898-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2018-06-14 — — 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 (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-10683321-B2 4′-or nucleosides for the treatment of HCV NSUN2, NSUN3, ZC3HAV1 P2RY2 1203/4885P2RY4 337/4885ALDH1A1 516/4885
US-20180162898-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV NSUN2, NSUN3, ZC3HAV1 P2RY2 1203/4885P2RY4 318/4885ALDH1A1 483/4885

“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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