SCHEMBL21057089

SCHEMBL21057089

Nc1nc2c(ncn2C2OC(OCP(=O)(O)O)C(F)C2O)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.61
▸ HPRT1 P00492 2/20 0.58
▸ TGM2 P21980 1/20 0.55
▸ HINT1 P49773 1/20 0.52
▸ KRAS P01116 7/20 0.50
▸ FUT5 Q11128 1/20 0.49
▸ PNP P00491 1/20 0.49
▸ GSK3A P49840 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ STING1 Q86WV6 2/20 0.49
▸ PDE3B Q13370 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ IMPDH2 P12268 1/20 0.49

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
SCHEMBL12300464 0.94 NT5E (0.58) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL8897427 0.91 NT5E (0.65) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL12300460 0.90 NT5E (0.59) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL12300425 0.89 HPRT1 (0.55) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL12300422 0.86 NT5E (0.56) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL12300454 0.83 NT5E (0.42) NT5EHPRT1TGM2KRASFUT5
SCHEMBL12300462 0.83 STING1 (0.42) NT5EHPRT1TGM2PNPGSK3A
SCHEMBL18841403 0.81 NT5E (0.64) NT5ETGM2HINT1KRASFUT5
SCHEMBL12154664 0.81 HPRT1 (0.61) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL12151598 0.81 HPRT1 (0.61) NT5EHPRT1TGM2HINT1KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728282-B1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-11-22 — — EP disclosed
US-11203610-B2 2′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2021-12-21 — — US disclosed
EP-3728282-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN Institute of Organic Chemistry and Biochemistry ASCR, V.V.I. (CZ) 2020-10-28 — — EP disclosed
US-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-06-20 — — 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-11203610-B2 2′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein STING1, CGAS, IRF3 NT5E 419/4885HPRT1 830/4885TGM2 1982/4885
US-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN STING1, CGAS, IRF3 NT5E 424/4885HPRT1 804/4885TGM2 1953/4885

“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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