SCHEMBL14581405

SCHEMBL14581405

Nc1nc(N)c2ncn(C3COC(COC(=O)c4ccccc4)O3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 2/20 0.49
▸ CYP1A2 P05177 1/20 0.41
▸ STING1 Q86WV6 2/20 0.41
▸ NT5E P21589 2/20 0.40
▸ HSP90B1 P14625 1/20 0.40
▸ P2RY11 Q96G91 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ AHCY P23526 1/20 0.38

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
SCHEMBL14023346 0.94 HINT1 (0.42) HINT1CYP1A2STING1P2RY11
SCHEMBL5425043 0.92 NT5E (0.41) HINT1CYP1A2STING1NT5E
SCHEMBL5216986 0.92 NT5E (0.41) HINT1CYP1A2STING1NT5E
SCHEMBL5216981 0.92 NT5E (0.41) HINT1CYP1A2STING1NT5E
SCHEMBL6788532 0.92 NT5E (0.41) HINT1CYP1A2STING1NT5E
SCHEMBL14023347 0.92 NT5E (0.41) HINT1CYP1A2STING1NT5E
SCHEMBL5435997 0.92 NT5E (0.41) HINT1CYP1A2STING1NT5E
SCHEMBL9202661 0.92 NT5E (0.41) HINT1CYP1A2STING1NT5E
SCHEMBL5217050 0.91 HINT1 (0.40) HINT1CYP1A2STING1
SCHEMBL14023348 0.91 HINT1 (0.40) HINT1CYP1A2STING1

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-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 — — 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-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG HINT1 996/4885CYP1A2 1337/4885STING1 5/4885

“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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