SCHEMBL18490329

SCHEMBL18490329

CC(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3ccccc3)C(F)(F)[C@H]2OC(C)=O)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.49
▸ TAS1R1 Q7RTX1 2/20 0.49
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PNP P00491 1/20 0.41
▸ GSK3A P49840 2/20 0.40
▸ RPS6KA3 P51812 2/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ HINT1 P49773 1/20 0.39
▸ ACHE P22303 4/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ IMPDH2 P12268 1/20 0.36
▸ NT5E P21589 1/20 0.36

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
SCHEMBL21878035 0.87 TAS1R3 (0.37) TAS1R3TAS1R1MEN1KMT2ATSHR
SCHEMBL18510844 0.86 TAS1R3 (0.54) TAS1R3TAS1R1MEN1KMT2ATSHR
SCHEMBL7162786 0.84 TAS1R3 (0.47) TAS1R3TAS1R1MEN1KMT2ATSHR
SCHEMBL28722668 0.81 TAS1R3 (0.47) TAS1R3TAS1R1MEN1KMT2ATSHR
SCHEMBL18490350 0.79 ACHE (0.47) ACHEALDH1A1LMNANT5E
SCHEMBL18519735 0.75 MEN1 (0.44) TAS1R3TAS1R1MEN1KMT2ATSHR
SCHEMBL23827894 0.74 KDM4E (0.46) TAS1R3TAS1R1MEN1KMT2APNP
SCHEMBL29557868 0.74 KDM4E (0.46) TAS1R3TAS1R1MEN1KMT2APNP
SCHEMBL29558174 0.74 KDM4E (0.46) TAS1R3TAS1R1MEN1KMT2APNP
SCHEMBL29558873 0.74 TAS1R3 (0.45) TAS1R3TAS1R1MEN1KMT2APNP

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-3334745-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-15 — — EP disclosed
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2022-09-27 — — US disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — 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-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — 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-3334745-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2018-06-20 — — EP 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 (7 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 TAS1R3 453/4885TAS1R1 161/4885MEN1 1419/4885
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TAS1R3 453/4885TAS1R1 161/4885MEN1 1419/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TAS1R3 453/4885TAS1R1 161/4885MEN1 1419/4885
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TAS1R3 453/4885TAS1R1 161/4885MEN1 1419/4885
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TAS1R3 453/4885TAS1R1 161/4885MEN1 1419/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TAS1R3 453/4885TAS1R1 161/4885MEN1 1419/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 TAS1R3 453/4885TAS1R1 161/4885MEN1 1419/4885

“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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