SCHEMBL18520860

SCHEMBL18520860

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](F)[C@H]2OP(=O)(S)OC[C@H]2O[C@@H](n3cc(F)c4c(N)ncnc43)C[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ P2RY2 P41231 1/20 0.47
▸ P2RY4 P51582 1/20 0.47
▸ P2RY6 Q15077 1/20 0.47
▸ STING1 Q86WV6 5/20 0.47
▸ F2 P00734 1/20 0.46
▸ DTYMK P23919 4/20 0.45
▸ FUT5 Q11128 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ ADORA1 P30542 1/20 0.41
▸ ENPP1 P22413 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TGM2 P21980 1/20 0.41

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
SCHEMBL24499246 0.95 POLB (0.49) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL22399228 0.94 STING1 (0.46) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL18520859 0.93 POLB (0.53) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL23619404 0.92 POLB (0.51) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL18521172 0.91 POLB (0.56) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL24239208 0.91 POLB (0.56) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL18521023 0.91 POLB (0.56) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL21942806 0.91 STING1 (0.43) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL24499248 0.90 POLB (0.52) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL18521698 0.90 POLB (0.52) POLBP2RY2P2RY4P2RY6STING1

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
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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — 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 (4 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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 POLB 312/4885P2RY2 77/4885P2RY4 159/4885
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS POLB 240/4885P2RY2 368/4885P2RY4 451/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 POLB 354/4885P2RY2 88/4885P2RY4 192/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 POLB 519/4885P2RY2 33/4885P2RY4 105/4885

“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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