SCHEMBL25855593

SCHEMBL25855593

CC[C@H](CC(=O)c1nc2nc(OC)c(OC)cc2s1)C(C)=O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.69
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL25855590 1.00 STING1 (0.69) STING1KDM4EMAPK1
SCHEMBL25855601 0.91 STING1 (0.66) STING1
SCHEMBL25855594 0.91 STING1 (0.66) STING1
SCHEMBL22887113 0.91 STING1 (0.76) STING1
SCHEMBL22887123 0.91 STING1 (0.76) STING1
SCHEMBL25855563 0.86 STING1 (0.83) STING1
SCHEMBL25855552 0.86 STING1 (0.83) STING1
SCHEMBL22887125 0.84 STING1 (0.72) STING1
SCHEMBL22887124 0.84 STING1 (0.72) STING1
SCHEMBL21454818 0.81 STING1 (1.00) 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 1 patent. 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

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

For each of this compound's patents that has machine-readable text (1 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-11702430-B2 Aza-benzothiophene compounds as STING agonists STING1, IRF3, CGAS STING1 1/4885KDM4E 760/4885MAPK1 2968/4885

“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.