SCHEMBL25855618

SCHEMBL25855618

COc1nc2nc(C(=O)CCC(C)=O)sc2nc1OC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.39
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9839394 0.57 SMN1; SMN2 (0.50) KDM4EHPGDSMN1; SMN2
SCHEMBL6283202 0.57 MMP1 (0.67) KDM4EHPGDSMN1; SMN2
SCHEMBL11686001 0.55 SMN1; SMN2 (0.62) KDM4EHPGDSMN1; SMN2
SCHEMBL10001 0.54
SCHEMBL28060459 0.54 ALDH1A1 (1.00) KDM4E
SCHEMBL3025923 0.53 NPC1 (0.67) KDM4EHPGDSMN1; SMN2
Alcohol SCHEMBL137775 0.52 ALDH1A1 (0.77)
SCHEMBL27722569 0.52
SCHEMBL6801343 0.52
SCHEMBL11615492 0.52

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 760/4885HPGD 3203/4885

“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.