SCHEMBL21406152

SCHEMBL21406152

COc1nc2cc(C(=O)Cl)sc2cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 11/20 0.48
RAB9A P51151 2/20 0.35
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCD O00767 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL21405952 0.87 STING1 (0.49) STING1RAB9AHSD17B10KDM4EMEN1
SCHEMBL21454848 0.81 STING1 (0.52) STING1RAB9ANPC1SMN1; SMN2
SCHEMBL21437180 0.80 STING1 (0.54) STING1HDAC6
SCHEMBL25855979 0.80 STING1 (0.48) STING1
SCHEMBL21406086 0.77 STING1 (0.65) STING1
SCHEMBL21406088 0.77 STING1 (0.65) STING1
SCHEMBL21406350 0.76 STING1 (0.53) STING1
SCHEMBL21406349 0.76 STING1 (0.53) STING1
SCHEMBL29976400 0.76 STING1 (0.67) STING1
SCHEMBL30666325 0.76 STING1 (0.46) 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 7 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1/4885RAB9A 1301/4885HSD17B10 4415/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 STING1 1/4885RAB9A 1301/4885HSD17B10 4415/4885

“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.