SCHEMBL18522233

SCHEMBL18522233

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2O[P@](=S)(S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@H](O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.58
▸ NT5E P21589 1/20 0.56
▸ P2RX3 P56373 1/20 0.54
▸ TGM2 P21980 1/20 0.53
▸ HINT1 P49773 4/20 0.52
▸ GSK3A P49840 2/20 0.50
▸ RPS6KA3 P51812 2/20 0.50
▸ MAPK14 Q16539 2/20 0.50
▸ KRAS P01116 7/20 0.49
▸ PNP P00491 1/20 0.48
▸ IMPDH2 P12268 1/20 0.48
▸ IMPDH1 P20839 1/20 0.48
▸ P2RY2 P41231 1/20 0.48
▸ P2RY4 P51582 1/20 0.48
▸ P2RY6 Q15077 1/20 0.48

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
SCHEMBL18521953 0.94 FUT5 (0.52) FUT5NT5EP2RX3TGM2HINT1
SCHEMBL18521293 0.93 FUT5 (0.62) FUT5NT5EP2RX3TGM2HINT1
SCHEMBL22381693 0.93 FUT5 (0.62) FUT5NT5EP2RX3TGM2HINT1
SCHEMBL21759039 0.91 POLB (0.56) FUT5NT5EP2RX3TGM2P2RY2
SCHEMBL18521078 0.90 FUT5 (0.69) FUT5NT5EP2RX3TGM2HINT1
SCHEMBL22399232 0.88 FUT5 (0.60) FUT5NT5EP2RX3TGM2HINT1
SCHEMBL18521067 0.87 FUT5 (0.54) FUT5NT5EP2RX3TGM2HINT1
SCHEMBL22399475 0.87 NT5E (0.60) FUT5NT5EP2RX3TGM2HINT1
SCHEMBL24239209 0.85 FUT5 (0.58) FUT5NT5EP2RX3TGM2HINT1
SCHEMBL18521079 0.85 FUT5 (0.68) FUT5NT5EP2RX3TGM2HINT1

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 FUT5 4404/4885NT5E 1372/4885P2RX3 127/4885

“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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