SCHEMBL23856909

SCHEMBL23856909

CC(C)(C)OC(=O)Nc1cnc2c(n1)N(COCC[Si](C)(C)C)C(=O)CO2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
RORC P51449 1/20 0.33
DGAT1 O75907 3/20 0.32
MAPKAPK2 P49137 1/20 0.31
NAMPT P43490 1/20 0.31
BCL2 P10415 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CDK9 P50750 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
SCHEMBL25572743 0.89 GSK3B (0.34) GSK3BDYRK1ARORCMAPKAPK2NAMPT
SCHEMBL23857720 0.88 DGAT1 (0.33) DGAT1
SCHEMBL30048350 0.84 RORC (0.37) GSK3BDYRK1ARORCNAMPT
SCHEMBL23857581 0.84 RORC (0.37) GSK3BDYRK1ARORCNAMPT
SCHEMBL23857562 0.79
SCHEMBL31007096 0.79 KCNH2 (0.40) RORC
SCHEMBL23857122 0.79 KCNH2 (0.40) RORC
SCHEMBL23856789 0.78 DGAT1 (0.39) DGAT1
SCHEMBL30047789 0.77 CYP1A1 (0.31)
SCHEMBL31007092 0.74 KCNH2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO 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 (1 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 GSK3B 1092/4885DYRK1A 3213/4885RORC 1936/4885

“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.