SCHEMBL13843353

SCHEMBL13843353

C[C@@]1(OCc2ccccc2)[C@H](O)C(CO)O[C@H]1c1c[nH]c(C#N)c1N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL13847087 1.00 CYP3A4 (0.32) CYP3A4ALOX15TSHRCYP2C19
SCHEMBL13843316 0.82 ALOX15 (0.34) CYP3A4ALOX15TSHRCYP2C19
SCHEMBL13843333 0.78 CYP1A2 (0.30) CYP3A4ALOX15
SCHEMBL13847228 0.77 MTAP (0.43) —
SCHEMBL13843356 0.77 MTAP (0.43) —
SCHEMBL13843313 0.70 ADORA2A (0.37) —
SCHEMBL13847083 0.70 ADORA2A (0.37) —
SCHEMBL10183346 0.67 PI4KA (0.36) —
SCHEMBL13843349 0.67 ADORA2A (0.37) —
SCHEMBL3363398 0.65 NT5E (0.32) ALOX15TSHR

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-7534767-B2 C-purine nucleoside analogs as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2009-05-19 — — US disclosed
US-20080021047-A1 C-Purine Nucleoside Analogs As Inhibitors Of Rna-Dependent Rna Viral Polymerase MERCK SHARP & DOHME LLC 2008-01-24 — — 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-20080021047-A1 C-Purine Nucleoside Analogs As Inhibitors Of Rna-Dependent Rna Viral Polymerase NSUN2, PNP, RNGTT CYP3A4 2382/4885ALOX15 1572/4885TSHR 4788/4885

“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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