SCHEMBL21405958

SCHEMBL21405958

COc1cc2sc(C(=O)CCC#N)cc2cc1CCCBr

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 16/20 0.64
▸ ACHE P22303 4/20 0.46

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
SCHEMBL21406208 0.93 STING1 (0.73) STING1ACHE
SCHEMBL21406369 0.90 STING1 (0.65) STING1ACHE
SCHEMBL21452625 0.89 STING1 (0.67) STING1ACHE
SCHEMBL21406165 0.88 STING1 (0.83) STING1ACHE
SCHEMBL21437077 0.86 STING1 (0.87) STING1ACHE
SCHEMBL21406153 0.85 STING1 (0.67) STING1ACHE
SCHEMBL21422855 0.83 STING1 (0.62) STING1ACHE
SCHEMBL21405938 0.83 STING1 (0.69) STING1ACHE
SCHEMBL21405941 0.82 STING1 (0.72) STING1ACHE
SCHEMBL21405725 0.82 STING1 (0.67) STING1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 — — CN disclosed
EP-3774764-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS Merck Sharp&Dohme Corp. (US) 2021-02-17 — — EP disclosed
CN-111971277-A Benzothiophenes and related compounds as STING agonists 默沙东公司 2020-11-20 — — CN disclosed
US-10793557-B2 Sting agonist compounds MERCK SHARP & DOHME CORP. (US) 2020-10-06 — — US disclosed
US-10793557-B2 Sting agonist compounds MERCK SHARP & DOHME CORP. (US) 2020-10-06 — — US disclosed
WO-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 — — WO disclosed
US-20190300513-A1 STING AGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-10-03 — — US disclosed
US-20190300513-A1 STING AGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-10-03 — — 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 (2 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-20190300513-A1 STING AGONIST COMPOUNDS STING1, CGAS, IRF3 STING1 1/4885ACHE 4742/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 STING1 1/4885ACHE 4742/4885

“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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