SCHEMBL18490302

SCHEMBL18490302

COC(=O)c1cc2c(Br)cc(OC)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.44
PTPN2 P17706 1/20 0.44
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CSNK2A2 P19784 1/20 0.42
KDR P35968 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41

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
SCHEMBL18490289 0.89 TBXAS1 (0.41) PTPN2CCNCCDK8HDAC1HDAC3
SCHEMBL31550045 0.87 PTPN2 (0.43) OPRD1PTPN2CCNCCDK8CSNK2A2
SCHEMBL26622018 0.85 PTPN2 (0.47) PTPN2L3MBTL1KDM4EGAAMAPT
SCHEMBL829006 0.84 CSNK2A2 (0.46) PTPN2CCNCCDK8CSNK2A2KDR
SCHEMBL21406179 0.80 STING1 (0.49) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL21452740 0.78 NPC1 (0.38) PTPN2L3MBTL1GAANPC1RAB9A
SCHEMBL29749445 0.78 SLC9A1 (0.57) PTPN2CCNCCDK8CSNK2A2KDR
SCHEMBL828976 0.78 SLC9A1 (0.57) PTPN2CCNCCDK8CSNK2A2KDR
SCHEMBL21341413 0.78 HDAC1 (0.51) PTPN2CCNCCDK8CSNK2A2KDR
SCHEMBL5550652 0.77 ICAM1 (0.56) PTPN2CCNCCDK8CSNK2A2KDR

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 18 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
US-9920040-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-20 US disclosed
US-9908873-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-06 US disclosed
US-9856245-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-01-02 US disclosed
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
US-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
WO-2017027310-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 WO disclosed
WO-2017027309-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 WO disclosed
WO-2017027312-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 WO disclosed
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 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 (5 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-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 OPRD1 402/4885PTPN2 2029/4885CCNC 1489/4885
US-20190300513-A1 STING AGONIST COMPOUNDS STING1, CGAS, IRF3 OPRD1 1386/4885PTPN2 2556/4885CCNC 3553/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 OPRD1 1386/4885PTPN2 2556/4885CCNC 3553/4885
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 OPRD1 328/4885PTPN2 1823/4885CCNC 4503/4885
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR55, GPR65 OPRD1 378/4885PTPN2 2431/4885CCNC 4136/4885

“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.