SCHEMBL20022241

SCHEMBL20022241

COc1cc2cc(C(=O)O)sc2cc1Br

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 16/20 0.66
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
PTPN2 P17706 2/20 0.52
GPR35 Q9HC97 1/20 0.51

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
SCHEMBL29636423 0.94 STING1 (0.66) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20022261 0.94 STING1 (0.66) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29636388 0.89 STING1 (0.61) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20022239 0.89 STING1 (0.61) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1589579 0.87 STING1 (0.68) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20022240 0.86 STING1 (0.61) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20022244 0.83 STING1 (0.80) STING1
SCHEMBL20563177 0.83 STING1 (0.61) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1608203 0.83 GPR35 (0.67) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12723471 0.83 HDAC3 (0.73) STING1HDAC3HDAC4HDAC1HDAC7

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 15 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
CN-110036001-B Benzo [ b ] thiophene compounds as STING agonists 默沙东公司 2022-03-22 CN 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-10730849-B2 Benzo[b]thiophene compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-04 US disclosed
US-10703738-B2 Benzo[b]thiophene compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-07-07 US disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
US-20190337917-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-11-07 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-10414747-B2 Benzo[b]thiophene compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
US-10414747-B2 Benzo[b]thiophene compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
WO-2018067423-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-12 WO disclosed
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 US disclosed
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 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-20190300513-A1 STING AGONIST COMPOUNDS STING1, CGAS, IRF3 STING1 1/4885HDAC3 4824/4885HDAC4 4239/4885
US-10730849-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS STING1 1/4885HDAC3 4365/4885HDAC4 4443/4885
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS STING1 1/4885HDAC3 4365/4885HDAC4 4443/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 STING1 1/4885HDAC3 4824/4885HDAC4 4239/4885
US-10414747-B2 Benzo[b]thiophene compounds as sting agonists STING1, IRF3, CGAS STING1 1/4885HDAC3 4365/4885HDAC4 4443/4885
US-20190337917-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS STING1 1/4885HDAC3 4365/4885HDAC4 4443/4885
US-10703738-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS STING1 1/4885HDAC3 4365/4885HDAC4 4443/4885

“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.