SCHEMBL23455986

SCHEMBL23455986

CC(C)[Si](O[C@H]1C[C@H](O)C[C@@H]1COCc1ccccc1)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ AGTR2 P50052 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MTAP Q13126 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL23456071 0.85 AGTR2 (0.38) BCHEACHEAGTR2FFAR4
SCHEMBL23456072 0.85 AGTR2 (0.38) BCHEACHEAGTR2FFAR4
SCHEMBL23456023 0.83 CHRNA7 (0.44) —
SCHEMBL23456025 0.83 CHRNA7 (0.44) —
SCHEMBL783646 0.81 TAAR1 (0.37) BCHEACHEAGTR2TAAR1PDE4D
SCHEMBL14722152 0.80 BCHE (0.49) BCHEACHEAGTR2TAAR1PDE4D
SCHEMBL22241748 0.80 BCHE (0.49) BCHEACHEAGTR2TAAR1PDE4D
SCHEMBL14719887 0.80 BCHE (0.49) BCHEACHEAGTR2TAAR1PDE4D
SCHEMBL23313010 0.80 BCHE (0.49) BCHEACHEAGTR2TAAR1PDE4D
SCHEMBL14719819 0.80 BCHE (0.49) BCHEACHEAGTR2TAAR1PDE4D

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 BCHE 4379/4885ACHE 4013/4885AGTR2 1627/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS BCHE 4379/4885ACHE 4013/4885AGTR2 1627/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS BCHE 4379/4885ACHE 4013/4885AGTR2 1627/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS BCHE 4379/4885ACHE 4013/4885AGTR2 1627/4885

“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