SCHEMBL20820132

SCHEMBL20820132

CC(C)OC(=O)[C@@H](C)NP(=O)(Oc1ccccc1)OC1[C@H]2O[C@@H](n3cnc4c(N)nc(N)nc43)[C@H](N)[C@@]12O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 2/20 0.41
▸ BTN3A1 O00481 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ HSP90B1 P14625 1/20 0.36
▸ NT5E P21589 2/20 0.35
▸ ADORA2A P29274 2/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ SERPINA3 P01011 1/20 0.34
▸ AHCY P23526 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL20820158 1.00 HINT1 (0.41) HINT1BTN3A1CYP3A4CYP2C9HSP90B1
SCHEMBL21136926 0.94 HINT1 (0.42) HINT1BTN3A1CYP3A4CYP2C9HSP90B1
SCHEMBL21136218 0.93 HINT1 (0.40) HINT1BTN3A1CYP3A4CYP2C9HSP90B1
SCHEMBL20820179 0.91 HINT1 (0.39) HINT1BTN3A1CYP3A4CYP2C9HSP90B1
SCHEMBL20820211 0.91 HINT1 (0.39) HINT1BTN3A1CYP3A4CYP2C9HSP90B1
SCHEMBL20820156 0.90 HINT1 (0.37) HINT1BTN3A1CYP3A4CYP2C9HSP90B1
SCHEMBL20820206 0.90 HINT1 (0.37) HINT1BTN3A1CYP3A4CYP2C9HSP90B1
SCHEMBL20402389 0.88 SERPINA3 (0.41) HINT1BTN3A1CYP3A4CYP2C9NT5E
SCHEMBL18458037 0.87 CYP3A4 (0.39) HINT1BTN3A1CYP3A4CYP2C9NT5E
SCHEMBL20402084 0.87 CYP3A4 (0.39) HINT1BTN3A1CYP3A4CYP2C9NT5E

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-10231986-B2 Amino acid phosphoramidate pronucleotides of 2′-cyano, azido and amino nucleosides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-03-19 — — 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-10231986-B2 Amino acid phosphoramidate pronucleotides of 2′-cyano, azido and amino nucleosides for the treatment of HCV PNP, RNGTT, NSUN2 HINT1 396/4885BTN3A1 2884/4885CYP3A4 4067/4885

“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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