SCHEMBL20945779

SCHEMBL20945779

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MME P08473 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
APP P05067 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 3/20 0.31
APLNR P35414 2/20 0.31
IDO1 P14902 1/20 0.31
CCR9 P51686 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL20945777 1.00 HDAC4 (0.32) HDAC4HDAC6MMECES2CES1
SCHEMBL30604027 1.00 HDAC4 (0.32) HDAC4HDAC6MMECES2CES1
SCHEMBL30161268 0.83 MAPT (0.37) MMECES2CES1MAPTALDH1A1
SCHEMBL28891058 0.83 MAPT (0.37) MMECES2CES1MAPTALDH1A1
SCHEMBL20967686 0.83 MAPT (0.37) MMECES2CES1MAPTALDH1A1
SCHEMBL20945587 0.83 FFAR1 (0.39) MMECES2CES1APPAPLNR
SCHEMBL20945590 0.83 FFAR1 (0.39) MMECES2CES1APPAPLNR
SCHEMBL22397218 0.81 DRD2 (0.35) MMECES2CES1MAPTALDH1A1
SCHEMBL22209198 0.81 OPRM1 (0.33) HDAC6
SCHEMBL20640531 0.74 APLNR (0.37) MMECES2CES1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338241-B2 Bicyclic sulfones and sulfoxides and methods of use thereof GENENTECH, INC. (US) 2025-06-24 US disclosed
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
CN-111278809-A Bicyclic sulfones and sulfoxides, and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 CN 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 (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-11072617-B2 Bicyclic sulfones and sulfoxides and methods of use thereof RB1, CCNE2, RPS3A HDAC4 1690/4885HDAC6 706/4885MME 3695/4885
US-20190127382-A1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF RB1, CCNE2, RPS3A HDAC4 1690/4885HDAC6 706/4885MME 3695/4885
US-12338241-B2 Bicyclic sulfones and sulfoxides and methods of use thereof RB1, CCNE2, RPS3A HDAC4 1690/4885HDAC6 706/4885MME 3695/4885
US-20230002391-A1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF RB1, CCNE2, RPS3A HDAC4 1690/4885HDAC6 706/4885MME 3695/4885

“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.