SCHEMBL21405985

SCHEMBL21405985

COc1nc2cc(C(=O)OC(C)(C)C)sc2nc1OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
STING1 Q86WV6 4/20 0.39
CSNK2A2 P19784 1/20 0.35
KDR P35968 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
LHCGR P22888 1/20 0.34
LCK P06239 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GRM6 O15303 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGDS O60760 1/20 0.32
CA2 P00918 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL30416042 1.00 ALDH1A1 (0.39) ALDH1A1STING1CSNK2A2KDRCSNK2B
SCHEMBL24175693 0.86 CSNK2A2 (0.47) ALDH1A1STING1CSNK2A2KDRCSNK2B
SCHEMBL30416428 0.84 STING1 (0.44) STING1CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL21405800 0.84 STING1 (0.44) STING1CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL21405827 0.81 STING1 (0.45) ALDH1A1STING1CSNK2A2KDRCSNK2B
SCHEMBL21454852 0.81 STING1 (0.33) STING1
SCHEMBL30416399 0.79 STING1 (0.58) ALDH1A1STING1
SCHEMBL21406360 0.79 STING1 (0.58) ALDH1A1STING1
SCHEMBL21454855 0.78 STING1 (0.35) STING1
SCHEMBL21454857 0.77 STING1 (0.44) 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 14 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
EP-3774765-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-02-17 EP 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
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 ALDH1A1 4795/4885STING1 1/4885CSNK2A2 835/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 ALDH1A1 4795/4885STING1 1/4885CSNK2A2 835/4885
US-11702430-B2 Aza-benzothiophene compounds as STING agonists STING1, IRF3, CGAS ALDH1A1 3651/4885STING1 1/4885CSNK2A2 2250/4885
US-20210009608-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS ALDH1A1 3651/4885STING1 1/4885CSNK2A2 2250/4885

“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.