SCHEMBL23856487

SCHEMBL23856487

CC(C)(C)OC(=O)NCC(CC1CO1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.38
HCRTR2 O43614 1/20 0.37
CPB2 Q96IY4 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
GFER P55789 1/20 0.33
EPHX1 P07099 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 2/20 0.33
PCSK9 Q8NBP7 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL28908755 0.90 SERPINE1 (0.37) SERPINE1HCRTR2CPB2MEN1GAA
SCHEMBL23856502 0.85 CYP2D6 (0.33)
SCHEMBL1445679 0.85 SERPINE1 (0.45) SERPINE1MEN1GAAKMT2AEPHX1
SCHEMBL23857376 0.81 CPB2 (0.41) SERPINE1HCRTR2CPB2KMT2ACYP3A4
SCHEMBL30489730 0.81 SERPINE1 (0.42) SERPINE1MEN1GAAKMT2AGFER
SCHEMBL20298013 0.81 SERPINE1 (0.42) SERPINE1MEN1GAAKMT2AGFER
SCHEMBL18991085 0.81 SERPINE1 (0.42) SERPINE1MEN1GAAKMT2AGFER
SCHEMBL19344761 0.80 SERPINE1 (0.41) SERPINE1MEN1GAAKMT2ANPSR1
SCHEMBL18990365 0.80 SERPINE1 (0.41) SERPINE1MEN1GAAKMT2AGFER
SCHEMBL20660021 0.80 SERPINE1 (0.41) SERPINE1MEN1GAAKMT2ANPSR1

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 4 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
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

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 SERPINE1 1214/4885HCRTR2 2552/4885CPB2 685/4885

“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.