SCHEMBL20945587

SCHEMBL20945587

CC(C)(C)[Si](C)(C)O[C@H](CC(=O)O)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.39
MME P08473 1/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CTSA P10619 2/20 0.35
PPARG P37231 1/20 0.35
APP P05067 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
APLNR P35414 2/20 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
SCHEMBL20945590 1.00 FFAR1 (0.39) FFAR1MMECES2CES1CTSA
SCHEMBL28891058 0.87 MAPT (0.37) MMECES2CES1APPAPLNR
SCHEMBL30161268 0.87 MAPT (0.37) MMECES2CES1APPAPLNR
SCHEMBL20967686 0.87 MAPT (0.37) MMECES2CES1APPAPLNR
SCHEMBL22397218 0.85 DRD2 (0.35) FFAR1MMECES2CES1APP
SCHEMBL30604027 0.83 HDAC4 (0.32) MMECES2CES1APPAPLNR
SCHEMBL20945779 0.83 HDAC4 (0.32) MMECES2CES1APPAPLNR
SCHEMBL20945777 0.83 HDAC4 (0.32) MMECES2CES1APPAPLNR
SCHEMBL28608240 0.83 FFAR1 (0.51) FFAR1PPARG
SCHEMBL18704145 0.82 FFAR1 (0.47) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278809-B Bicyclic sulfones and sulfoxides, and methods of use thereof 豪夫迈·罗氏有限公司 2024-06-25 CN disclosed
EP-3704097-B1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
US-20230002391-A1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2023-01-05 US disclosed
US-11072617-B2 Bicyclic sulfones and sulfoxides and methods of use thereof GENENTECH, INC. (US) 2021-07-27 US disclosed
EP-3704097-A1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2020-09-09 EP disclosed
US-20190127382-A1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-05-02 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 (3 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-11072617-B2 Bicyclic sulfones and sulfoxides and methods of use thereof RB1, CCNE2, RPS3A FFAR1 4495/4885MME 3695/4885CES2 3471/4885
US-20190127382-A1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF RB1, CCNE2, RPS3A FFAR1 4495/4885MME 3695/4885CES2 3471/4885
US-20230002391-A1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF RB1, CCNE2, RPS3A FFAR1 4495/4885MME 3695/4885CES2 3471/4885

“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.