Sugi Predict

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SCHEMBL20967686

SCHEMBL20967686

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ MME P08473 1/20 0.36
▸ MAPK1 P28482 3/20 0.34
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CHRND Q07001 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 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
SCHEMBL28891058 1.00 MAPT (0.37) MAPTALDH1A1HTTMMEMAPK1
SCHEMBL30161268 1.00 MAPT (0.37) MAPTALDH1A1HTTMMEMAPK1
SCHEMBL22397218 0.88 DRD2 (0.35) MAPTALDH1A1HTTMMECES2
SCHEMBL20945590 0.87 FFAR1 (0.39) MMECES2CES1APPAPLNR
SCHEMBL20945587 0.87 FFAR1 (0.39) MMECES2CES1APPAPLNR
SCHEMBL30604027 0.83 HDAC4 (0.32) MAPTALDH1A1MMEMAPK1CES2
SCHEMBL20945779 0.83 HDAC4 (0.32) MAPTALDH1A1MMEMAPK1CES2
SCHEMBL20945777 0.83 HDAC4 (0.32) MAPTALDH1A1MMEMAPK1CES2
SCHEMBL16263403 0.80 KCNA5 (0.42) MAPTALDH1A1KMT2A
SCHEMBL20640531 0.78 APLNR (0.37) MAPTALDH1A1MMECES2CES1

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
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 (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 MAPT 4137/4885ALDH1A1 1912/4885HTT 2330/4885
US-20190127382-A1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF RB1, CCNE2, RPS3A MAPT 4137/4885ALDH1A1 1912/4885HTT 2330/4885
US-20230002391-A1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF RB1, CCNE2, RPS3A MAPT 4137/4885ALDH1A1 1912/4885HTT 2330/4885

“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.