SCHEMBL10238972

SCHEMBL10238972

COc1nc(NC(C)=O)nc2c1ncn2[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2C1=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL15898744 1.00 ACHE (0.34) ACHETAS1R3TAS1R1ALDH1A1
SCHEMBL15763414 0.92 ACHE (0.34) ACHETAS1R3TAS1R1
SCHEMBL15898784 0.92 ACHE (0.34) ACHEALDH1A1
SCHEMBL13030113 0.90 ACHE (0.43) ACHETAS1R3TAS1R1
SCHEMBL31514886 0.90 ACHE (0.43) ACHETAS1R3TAS1R1
SCHEMBL15763460 0.88 ACHE (0.32) ACHE
SCHEMBL15763412 0.84 ACHE (0.34) ACHE
SCHEMBL10238971 0.83 ACHE (0.39) ACHETAS1R3TAS1R1
SCHEMBL21136248 0.83 ACHE (0.36) ACHE
SCHEMBL15898757 0.83 ACHE (0.39) ACHETAS1R3TAS1R1

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
US-9394331-B2 2′-spiro-nucleosides and derivatives thereof useful for treating hepatitis C virus and dengue virus infections GILEAD PHARMASSET LLC (US) 2016-07-19 — — US disclosed
US-8841275-B2 2′-spiro-nucleosides and derivatives thereof useful for treating hepatitis C virus and dengue virus infections GILEAD PHARMASSET LLC (US) 2014-09-23 — — US disclosed
US-20120142626-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-06-07 — — 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-20120142626-A1 COMPOUNDS HAVCR2, EIF2AK2, NTPCR ACHE 3340/4885TAS1R3 3457/4885TAS1R1 3901/4885

“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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