SCHEMBL18520875

SCHEMBL18520875

CC(C)C(=O)Nc1nc2c(nnn2C2SC(COC(=O)c3ccccc3)C(F)C2OC(=O)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PAX3 P23760 2/20 0.35
▸ FOXO1 Q12778 2/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ PDE5A O76074 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HRAS P01112 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18520879 1.00 MEN1 (0.36) MEN1USP2POLBKMT2APAX3
SCHEMBL22381608 1.00 MEN1 (0.36) MEN1USP2POLBKMT2APAX3
SCHEMBL27216190 1.00 MEN1 (0.36) MEN1USP2POLBKMT2APAX3
SCHEMBL18520861 1.00 MEN1 (0.36) MEN1USP2POLBKMT2APAX3
SCHEMBL18490448 1.00 MEN1 (0.36) MEN1USP2POLBKMT2APAX3
SCHEMBL18490687 0.94 MEN1 (0.37) MEN1USP2POLBKMT2APAX3
SCHEMBL22381682 0.94 MEN1 (0.37) MEN1USP2POLBKMT2APAX3
SCHEMBL25808037 0.93 PAX3 (0.36) MEN1USP2POLBKMT2APAX3
SCHEMBL18510868 0.93 PAX3 (0.36) MEN1USP2POLBKMT2APAX3
SCHEMBL18520978 0.92 MEN1 (0.36) MEN1USP2POLBKMT2APAX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — 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-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 (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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 MEN1 1419/4885USP2 2660/4885POLB 354/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 MEN1 1913/4885USP2 2509/4885POLB 312/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 MEN1 1419/4885USP2 2660/4885POLB 354/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 MEN1 1419/4885USP2 2660/4885POLB 354/4885
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.

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