SCHEMBL18490666

SCHEMBL18490666

Nc1nc2c(nnn2[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](F)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PNP P00491 4/20 0.49
▸ GSK3A P49840 2/20 0.45
▸ RPS6KA3 P51812 2/20 0.45
▸ MAPK14 Q16539 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ HINT1 P49773 3/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ HRAS P01112 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ DHFR P00374 1/20 0.36
▸ GAPDH P04406 1/20 0.35

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
SCHEMBL27216182 1.00 MEN1 (0.51) MEN1USP2POLBKMT2APNP
SCHEMBL22401434 0.93 MEN1 (0.60) MEN1USP2POLBKMT2APNP
SCHEMBL18510811 0.91 MEN1 (0.42) MEN1USP2POLBKMT2APNP
SCHEMBL22883456 0.85 ALDH1A1 (0.52) MEN1USP2POLBKMT2APNP
SCHEMBL22704376 0.85 ALDH1A1 (0.52) MEN1USP2POLBKMT2APNP
SCHEMBL27251025 0.85 MEN1 (0.47) MEN1USP2POLBKMT2APNP
SCHEMBL18490686 0.85 MEN1 (0.47) MEN1USP2POLBKMT2APNP
SCHEMBL27216181 0.85 MEN1 (0.47) MEN1USP2POLBKMT2APNP
SCHEMBL22079895 0.82 PNP (0.45) MEN1USP2POLBKMT2APNP
SCHEMBL23456224 0.81 MEN1 (0.44) MEN1USP2POLBKMT2APNP

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344644-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-06-26 — — EP disclosed
EP-3344644-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-06-26 — — EP disclosed
EP-3334745-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-15 — — EP disclosed
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 — — EP disclosed
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 — — EP disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2022-09-27 — — US disclosed
US-20220048936-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC (US) 2022-02-17 — — US disclosed
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 — — US disclosed
US-10106574-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2018-10-23 — — US disclosed
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-30 — — US disclosed
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-23 — — US disclosed
EP-3344644-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2018-07-11 — — EP disclosed
EP-3334745-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2018-06-20 — — EP disclosed
WO-2017027645-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — WO disclosed
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — WO disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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 (10 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-10106574-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 MEN1 1419/4885USP2 2660/4885POLB 354/4885
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 MEN1 1602/4885USP2 2680/4885POLB 317/4885
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 MEN1 1419/4885USP2 2660/4885POLB 354/4885
US-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 MEN1 1929/4885USP2 1945/4885POLB 3287/4885
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 MEN1 1419/4885USP2 2660/4885POLB 354/4885
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 MEN1 1419/4885USP2 2660/4885POLB 354/4885
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 MEN1 1605/4885USP2 2604/4885POLB 330/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 MEN1 1419/4885USP2 2660/4885POLB 354/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS MEN1 1715/4885USP2 1990/4885POLB 3292/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 MEN1 1971/4885USP2 2518/4885POLB 345/4885

“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.

Send feedback