SCHEMBL18512911

SCHEMBL18512911

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2C(OP(=O)(N[C@H](C)C(=O)OC(C)C)Oc3ccccc3)[C@]2(CF)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ BTN3A1 O00481 3/20 0.35
▸ HINT1 P49773 2/20 0.35
▸ ADORA3 P0DMS8 3/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ ADORA2B P29275 3/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ HSP90B1 P14625 1/20 0.32

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
SCHEMBL25713585 1.00 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1HINT1ADORA3
SCHEMBL25720930 1.00 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1HINT1ADORA3
SCHEMBL25715220 0.93 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1HINT1ADORA3
SCHEMBL25715200 0.93 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1HINT1ADORA3
SCHEMBL25715188 0.93 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1HINT1ADORA3
SCHEMBL25724617 0.87 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1HINT1ADORA3
SCHEMBL25721810 0.87 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1HINT1ADORA3
SCHEMBL25724873 0.87 TAAR1 (0.45) CYP3A4CYP2C9HINT1
SCHEMBL18458037 0.84 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1HINT1ADORA3
SCHEMBL20402084 0.84 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1HINT1ADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 — — EP disclosed
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-02-12 — — US disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 — — 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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 CYP3A4 3319/4885CYP2C9 3771/4885BTN3A1 3272/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 CYP3A4 3291/4885CYP2C9 3724/4885BTN3A1 3347/4885

“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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