SCHEMBL25855982

SCHEMBL25855982

COc1nc2cc(C(=O)CCC(C)=O)sc2nc1OC

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 0.54
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL21437154 0.89 STING1 (0.68) STING1HPGD
SCHEMBL24175695 0.88 STING1 (0.53) STING1KDM4E
SCHEMBL21454853 0.87 STING1 (0.52) STING1KDM4EHPGDSMN1; SMN2
SCHEMBL21406148 0.82 STING1 (0.52) STING1KDM4E
SCHEMBL25855946 0.81 STING1 (0.81) STING1
SCHEMBL25855947 0.80 STING1 (0.64) STING1
SCHEMBL25855987 0.80 STING1 (0.46) STING1
SCHEMBL21405827 0.79 STING1 (0.45) STING1KDM4ESMN1; SMN2
SCHEMBL25855984 0.79 STING1 (0.57) STING1KDM4EHPGDSMN1; SMN2
SCHEMBL25855979 0.79 STING1 (0.48) 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 760/4885HPGD 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.