SCHEMBL23857713

SCHEMBL23857713

O=C1COc2ccc(N3C(=O)OC(CCOCc4ccccc4)C3CO)nc2N1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.47
NR3C1 P04150 1/20 0.41
KCNH2 Q12809 1/20 0.38

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
SCHEMBL30047142 1.00 NR3C2 (0.47) NR3C2NR3C1KCNH2
SCHEMBL23857387 0.90 NR3C2 (0.40) NR3C2NR3C1KCNH2
SCHEMBL23857646 0.90 NR3C2 (0.40) NR3C2NR3C1KCNH2
SCHEMBL30253272 0.90 NR3C2 (0.40) NR3C2NR3C1KCNH2
SCHEMBL23857021 0.86 NR3C2 (0.37) NR3C2NR3C1KCNH2
SCHEMBL30253067 0.86 NR3C2 (0.37) NR3C2NR3C1KCNH2
SCHEMBL23871499 0.84 NR3C2 (0.46) NR3C2NR3C1KCNH2
SCHEMBL23871683 0.72 KCNH2 (0.40) NR3C2KCNH2
SCHEMBL23871684 0.72 KCNH2 (0.40) NR3C2KCNH2
SCHEMBL23871685 0.72 KCNH2 (0.40) NR3C2KCNH2

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
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
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP 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
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 NR3C2 2420/4885NR3C1 2712/4885KCNH2 1514/4885

“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.