SCHEMBL23456071

SCHEMBL23456071

CC(=O)O[C@@H]1C[C@H](COCc2ccccc2)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.38
▸ CHRM2 P08172 3/20 0.37
▸ CHRM4 P08173 3/20 0.37
▸ CHRM5 P08912 3/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ CHRM3 P20309 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ ACACB O00763 3/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 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
SCHEMBL23456072 1.00 AGTR2 (0.38) AGTR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL23456025 0.89 CHRNA7 (0.44) —
SCHEMBL23456023 0.89 CHRNA7 (0.44) —
SCHEMBL23455986 0.85 BCHE (0.37) AGTR2FFAR4BCHEACHE
SCHEMBL23456022 0.77 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23456021 0.77 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23456030 0.77 NAE1 (0.41) ALDH1A1FFAR4ACACBBCHEACHE
SCHEMBL23455968 0.74 MAPT (0.30) —
SCHEMBL23456106 0.74 CHRNA7 (0.48) —
SCHEMBL23455966 0.74 MAPT (0.30) —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054512-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-08-06 — — US disclosed
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 — — US disclosed
US-11542293-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-03 — — US disclosed
EP-3707151-B1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICALS CO (JP) 2022-01-05 — — EP disclosed
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-10 — — 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 (4 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-11542293-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS AGTR2 1627/4885CHRM2 3602/4885CHRM4 2383/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS AGTR2 1627/4885CHRM2 3602/4885CHRM4 2383/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS AGTR2 1627/4885CHRM2 3602/4885CHRM4 2383/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS AGTR2 1627/4885CHRM2 3602/4885CHRM4 2383/4885

“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.

Send feedback