SCHEMBL19050067

SCHEMBL19050067

CO[C@H]1C(n2cc(C#N)c3c(=O)[nH]c(N)nc32)O[C@@H]2C(O)[C@@]21O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 6/20 0.38
▸ ADK P55263 1/20 0.37
▸ HINT1 P49773 3/20 0.33
▸ NT5E P21589 1/20 0.31
▸ XDH P47989 3/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TLR7 Q9NYK1 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
SCHEMBL19050050 0.88 STING1 (0.41) STING1ADKHINT1NT5ETLR7
SCHEMBL19050071 0.87 STING1 (0.41) STING1ADKHINT1NT5EHPGD
SCHEMBL19049970 0.78 STING1 (0.42) STING1HINT1HPGD
SCHEMBL19049954 0.78 HINT1 (0.51) STING1HINT1NT5EHPGD
SCHEMBL12300443 0.77 PNP (0.45) STING1ADKHINT1NT5EHPGD
SCHEMBL1738441 0.77 PNP (0.45) STING1ADKHINT1NT5EHPGD
SCHEMBL12154587 0.77 PNP (0.45) STING1ADKHINT1NT5EHPGD
SCHEMBL12150669 0.77 PNP (0.45) STING1ADKHINT1NT5EHPGD
SCHEMBL12746824 0.77 PNP (0.45) STING1ADKHINT1NT5EHPGD
SCHEMBL6731792 0.77 PNP (0.45) STING1ADKHINT1NT5EHPGD

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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — 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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE POLRMT, DUT, RNASE1 STING1 503/4885ADK 592/4885HINT1 620/4885

“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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