SCHEMBL21056508

SCHEMBL21056508

Nc1nc(F)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.62
▸ POLB P06746 2/20 0.61
▸ CA5A P35218 1/20 0.61
▸ ENPP1 P22413 4/20 0.56
▸ P2RY1 P47900 3/20 0.56
▸ P2RY6 Q15077 2/20 0.56
▸ P2RX1 P51575 2/20 0.56
▸ P2RX3 P56373 2/20 0.56
▸ P2RY11 Q96G91 1/20 0.56
▸ P2RX4 Q99571 1/20 0.56
▸ P2RY12 Q9H244 1/20 0.55
▸ P2RY2 P41231 1/20 0.54
▸ P2RY4 P51582 1/20 0.54
▸ RNASEL Q05823 1/20 0.53
▸ P2RX2 Q9UBL9 1/20 0.53
▸ GPR17 Q13304 2/20 0.52
▸ DTYMK P23919 2/20 0.52
▸ PNP P00491 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52

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
SCHEMBL29642033 0.93 NT5E (0.64) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL15573313 0.93 NT5E (0.64) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL23897688 0.92 CA5A (0.71) NT5EPOLBCA5AENPP1P2RY1
SCHEMBL20906977 0.92 CA5A (0.71) NT5EPOLBCA5AENPP1P2RY1
SCHEMBL23603472 0.92 CA5A (0.71) NT5EPOLBCA5AENPP1P2RY1
SCHEMBL345288 0.91 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL4820794 0.91 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL29400356 0.91 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL17117823 0.91 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL12932286 0.91 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728283-B1 3'3' 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
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-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 — — US disclosed
CN-111511754-B 2'3' cyclic dinucleotides with phosphonate bonds of activated STING adaptor protein 捷克共和国有机化学与生物化学研究所 2023-09-12 — — CN disclosed
EP-3936514-B1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-05-24 — — EP disclosed
WO-2022007986-A1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V. V. I. (CZ) 2022-01-13 — — WO disclosed
EP-3936514-A1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE Institute of Organic Chemistry and Biochemistry ASCR, V.V.I. (CZ) 2022-01-12 — — 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
US-10966999-B2 3′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2021-04-06 — — US disclosed
EP-3728283-A1 3'3' 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
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-20190183917-A1 3'3' 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
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 (5 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-10966999-B2 3′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein STING1, IRF3, MAVS NT5E 566/4885POLB 489/4885CA5A 2456/4885
US-11203610-B2 2′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein STING1, CGAS, IRF3 NT5E 419/4885POLB 345/4885CA5A 2289/4885
US-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN STING1, CGAS, IRF3 NT5E 424/4885POLB 389/4885CA5A 2355/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 NT5E 88/4885POLB 167/4885CA5A 1717/4885
US-20190183917-A1 3'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN STING1, IRF3, CGAS NT5E 594/4885POLB 563/4885CA5A 2528/4885

“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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