SCHEMBL18521307

SCHEMBL18521307

Nc1nc2c(ncn2[C@@H]2O[C@@H]3C(O)[C@@]3(F)[C@H]2OP(=O)(S)OC[C@H]2O[C@H](n3cnc4c(=O)[nH]cnc43)[C@@H](F)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.52
▸ P2RX3 P56373 1/20 0.50
▸ TGM2 P21980 1/20 0.49
▸ FUT5 Q11128 1/20 0.48
▸ KRAS P01116 5/20 0.47
▸ STING1 Q86WV6 7/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ HINT1 P49773 1/20 0.46
▸ PNP P00491 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ RPS6KA3 P51812 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45

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
SCHEMBL18521151 1.00 NT5E (0.52) NT5EP2RX3TGM2FUT5KRAS
SCHEMBL18522194 1.00 NT5E (0.52) NT5EP2RX3TGM2FUT5KRAS
SCHEMBL22381931 1.00 NT5E (0.52) NT5EP2RX3TGM2FUT5KRAS
SCHEMBL18522064 0.93 NT5E (0.48) NT5EP2RX3TGM2FUT5KRAS
SCHEMBL18520893 0.93 NT5E (0.48) NT5EP2RX3TGM2FUT5KRAS
SCHEMBL18520947 0.93 NT5E (0.47) NT5EP2RX3TGM2FUT5KRAS
SCHEMBL18521236 0.93 NT5E (0.48) NT5EP2RX3TGM2FUT5KRAS
SCHEMBL18521725 0.93 NT5E (0.52) NT5EP2RX3TGM2FUT5KRAS
SCHEMBL18521651 0.92 P2RX3 (0.56) NT5EP2RX3TGM2FUT5KRAS
SCHEMBL18521669 0.92 P2RX3 (0.56) NT5EP2RX3TGM2FUT5KRAS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — US disclosed
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 (2 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 NT5E 1372/4885P2RX3 127/4885TGM2 3107/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 NT5E 1372/4885P2RX3 127/4885TGM2 3107/4885

“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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