SCHEMBL18521219

SCHEMBL18521219

Nc1nc2c(ncn2C2O[C@H](CO)C[C@H]2OP(=O)(S)OCC2O[C@@H](c3cnc4c(N)ncnn34)C[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ F2 P00734 2/20 0.46
▸ FUT5 Q11128 1/20 0.46
▸ NT5E P21589 1/20 0.44
▸ P2RY2 P41231 1/20 0.42
▸ P2RY4 P51582 1/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ KRAS P01116 5/20 0.40
▸ HINT1 P49773 1/20 0.40
▸ DTYMK P23919 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL24499586 1.00 STING1 (0.47) STING1POLBF2FUT5NT5E
SCHEMBL18511002 1.00 STING1 (0.47) STING1POLBF2FUT5NT5E
SCHEMBL18511004 1.00 STING1 (0.47) STING1POLBF2FUT5NT5E
SCHEMBL22399602 0.96 STING1 (0.46) STING1POLBF2FUT5NT5E
SCHEMBL18521220 0.94 STING1 (0.48) STING1POLBF2FUT5NT5E
SCHEMBL18522191 0.94 STING1 (0.46) STING1POLBF2FUT5NT5E
SCHEMBL21942702 0.93 STING1 (0.46) STING1POLBF2FUT5NT5E
SCHEMBL20324535 0.92 STING1 (0.47) STING1POLBF2FUT5NT5E
SCHEMBL18521065 0.92 STING1 (0.47) STING1POLBF2FUT5NT5E
SCHEMBL21539236 0.91 STING1 (0.46) STING1POLBF2FUT5NT5E

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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 STING1 1/4885POLB 354/4885F2 2085/4885

“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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