SCHEMBL20022281

SCHEMBL20022281

COC(=O)c1cc2c(F)c(OC)c(OC)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 6/20 0.67
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
RPS6KB1 P23443 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
NTRK2 Q16620 1/20 0.42
AURKB Q96GD4 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL29636407 1.00 STING1 (0.67) STING1KDM4EMAPTPOLBCCNC
SCHEMBL7433969 0.90 STING1 (0.72) STING1KDM4EPOLBCCNCCDK8
SCHEMBL20049321 0.87 STING1 (0.68) STING1KDM4EPOLBCCNCCDK8
SCHEMBL26931568 0.86 STING1 (0.50) STING1KDM4EMAPTCCNCCDK8
SCHEMBL30682880 0.86 STING1 (0.50) STING1KDM4EMAPTCCNCCDK8
SCHEMBL29636411 0.86 STING1 (0.67) STING1KDM4EPOLBCCNCCDK8
SCHEMBL20022282 0.86 STING1 (0.67) STING1KDM4EPOLBCCNCCDK8
SCHEMBL20026433 0.84 STING1 (0.62) STING1MAPTHDAC3HDAC4HDAC1
SCHEMBL24175593 0.84 CCNC (0.49) STING1KDM4EMAPTPOLBCCNC
SCHEMBL26931877 0.83 STING1 (0.75) STING1CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239675-A1 STING AGONIST COMPOUNDS SUTRO BIOPHARMA, INC. (US) 2023-12-14 WO disclosed
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
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-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 1/4885KDM4E 3736/4885MAPT 4812/4885
US-10730849-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS STING1 1/4885KDM4E 2935/4885MAPT 4815/4885
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS STING1 1/4885KDM4E 2935/4885MAPT 4815/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 STING1 1/4885KDM4E 3736/4885MAPT 4812/4885
US-10414747-B2 Benzo[b]thiophene compounds as sting agonists STING1, IRF3, CGAS STING1 1/4885KDM4E 2935/4885MAPT 4815/4885
US-20190337917-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS STING1 1/4885KDM4E 2935/4885MAPT 4815/4885
US-10703738-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS STING1 1/4885KDM4E 2935/4885MAPT 4815/4885

“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.