SCHEMBL21406360

SCHEMBL21406360

COc1cc2sc(C(=O)OC(C)(C)C)cc2nc1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 14/20 0.58
ALDH1A1 P00352 1/20 0.37
PIK3CG P48736 1/20 0.36
ACHE P22303 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL30416399 1.00 STING1 (0.58) STING1ALDH1A1PIK3CGACHEHDAC3
SCHEMBL30416824 0.85 STING1 (0.59) STING1ACHE
SCHEMBL21405764 0.85 STING1 (0.59) STING1ACHE
SCHEMBL21405741 0.83 STING1 (0.67) STING1PIK3CG
SCHEMBL30416880 0.83 STING1 (0.67) STING1PIK3CG
SCHEMBL21454815 0.82 STING1 (0.51) STING1
SCHEMBL21405985 0.79 ALDH1A1 (0.39) STING1ALDH1A1
SCHEMBL30416042 0.79 ALDH1A1 (0.39) STING1ALDH1A1
SCHEMBL21437395 0.78 STING1 (0.54) STING1ACHE
SCHEMBL21454844 0.78 STING1 (0.52) STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702430-B2 Aza-benzothiophene compounds as STING agonists MERCK SHARP & DOHME LLC (US) 2023-07-18 US disclosed
US-11702430-B2 Aza-benzothiophene compounds as STING agonists MERCK SHARP & DOHME LLC (US) 2023-07-18 US disclosed
US-11702430-B2 Aza-benzothiophene compounds as STING agonists MERCK SHARP & DOHME LLC (US) 2023-07-18 US disclosed
US-20210009608-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-01-14 US disclosed
US-20210009608-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-01-14 US 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-2019195063-A1 AZA-BENZOTHIOPHENE 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 (4 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 1/4885ALDH1A1 4795/4885PIK3CG 1326/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 STING1 1/4885ALDH1A1 4795/4885PIK3CG 1326/4885
US-11702430-B2 Aza-benzothiophene compounds as STING agonists STING1, IRF3, CGAS STING1 1/4885ALDH1A1 3651/4885PIK3CG 3608/4885
US-20210009608-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS STING1 1/4885ALDH1A1 3651/4885PIK3CG 3608/4885

“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.