SCHEMBL21406398

SCHEMBL21406398

COc1cc2sc(C(=O)CCC(=O)OC(C)(C)C)nc2cc1CCCBr

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 12/20 0.53
▸ ACHE P22303 2/20 0.36
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ MAOB P27338 2/20 0.34
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33

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
SCHEMBL21406156 0.91 STING1 (0.54) STING1ACHEMTNR1AMTNR1BMAOB
SCHEMBL21406166 0.86 STING1 (0.48) STING1ACHEMTNR1AMTNR1BMAOB
SCHEMBL21406250 0.83 STING1 (0.60) STING1ACHEMTNR1AMTNR1BTUBB4A
SCHEMBL21405941 0.83 STING1 (0.72) STING1ACHE
SCHEMBL28497616 0.81 STING1 (0.54) STING1ACHELIPG
SCHEMBL21405814 0.81 STING1 (0.72) STING1ACHE
SCHEMBL31496318 0.80 STING1 (0.77) STING1MAOB
SCHEMBL21406183 0.80 STING1 (0.77) STING1MAOB
SCHEMBL21437895 0.76 STING1 (0.52) STING1MAOB
SCHEMBL21406317 0.73 STING1 (0.73) 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 9 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
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 4742/4885MTNR1A 2565/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 STING1 1/4885ACHE 4742/4885MTNR1A 2565/4885

“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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