SCHEMBL19050071

SCHEMBL19050071

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 7/20 0.41
▸ HINT1 P49773 3/20 0.33
▸ TK1 P04183 1/20 0.33
▸ ADK P55263 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PNP P00491 1/20 0.31
▸ NT5E P21589 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 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
SCHEMBL19049899 0.89 STING1 (0.44) STING1HINT1ADKTLR7HPGD
SCHEMBL19050067 0.87 STING1 (0.38) STING1HINT1ADKTLR7HPGD
SCHEMBL19049954 0.81 HINT1 (0.51) STING1HINT1HPGDNT5EPDE3B
SCHEMBL19049970 0.81 STING1 (0.42) STING1HINT1HPGD
SCHEMBL19049956 0.76 HINT1 (0.36) STING1HINT1TLR7HPGDPNP
SCHEMBL12154740 0.75 PNP (0.48) STING1HINT1TLR7HPGDPNP
SCHEMBL1740074 0.75 PNP (0.48) STING1HINT1TLR7HPGDPNP
SCHEMBL12300458 0.75 PNP (0.48) STING1HINT1TLR7HPGDPNP
SCHEMBL12150687 0.75 PNP (0.48) STING1HINT1TLR7HPGDPNP
SCHEMBL6729951 0.75 PNP (0.48) STING1HINT1TLR7HPGDPNP

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 503/4885HINT1 620/4885TK1 371/4885

“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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