SCHEMBL18520830

SCHEMBL18520830

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C(O)C2OP(=O)(O)OC[C@H]2O[C@@H](n3ccc4c(N)ncnc43)CC2O)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 1/20 0.60
▸ P2RY4 P51582 1/20 0.60
▸ P2RY6 Q15077 1/20 0.60
▸ RNASEL Q05823 7/20 0.56
▸ POLB P06746 1/20 0.54
▸ ADORA1 P30542 1/20 0.52
▸ F2 P00734 1/20 0.52
▸ DTYMK P23919 2/20 0.52
▸ STING1 Q86WV6 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
SCHEMBL18521658 1.00 P2RY2 (0.60) P2RY2P2RY4P2RY6RNASELPOLB
SCHEMBL18520829 1.00 P2RY2 (0.60) P2RY2P2RY4P2RY6RNASELPOLB
SCHEMBL18510888 1.00 P2RY2 (0.60) P2RY2P2RY4P2RY6RNASELPOLB
SCHEMBL22381630 0.94 RNASEL (0.55) P2RY2P2RY4P2RY6RNASELADORA1
SCHEMBL21942767 0.92 P2RY2 (0.59) P2RY2P2RY4P2RY6RNASELPOLB
SCHEMBL18521832 0.92 RNASEL (0.62) P2RY2P2RY4P2RY6RNASELPOLB
SCHEMBL18510887 0.92 RNASEL (0.62) P2RY2P2RY4P2RY6RNASELPOLB
SCHEMBL18520789 0.92 RNASEL (0.62) P2RY2P2RY4P2RY6RNASELPOLB
SCHEMBL18521831 0.92 RNASEL (0.62) P2RY2P2RY4P2RY6RNASELPOLB
SCHEMBL22381574 0.91 RNASEL (0.54) P2RY2P2RY4P2RY6RNASELSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 — — US disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — US disclosed
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2019-10-31 — — 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 (6 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 P2RY2 88/4885P2RY4 192/4885P2RY6 266/4885
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS P2RY2 368/4885P2RY4 451/4885P2RY6 493/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 P2RY2 88/4885P2RY4 192/4885P2RY6 266/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 P2RY2 88/4885P2RY4 192/4885P2RY6 266/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 P2RY2 33/4885P2RY4 105/4885P2RY6 147/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS P2RY2 819/4885P2RY4 1259/4885P2RY6 1202/4885

“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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