SCHEMBL23857243

SCHEMBL23857243

CC(C)(C)OC(=O)NC1(COc2cc3c(c(Cl)n2)CC(CO)C3)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31

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
SCHEMBL30253187 1.00 PPIA (0.31) PPIAP2RX7ACACBACACA
SCHEMBL23857546 0.86 PPIA (0.33) PPIAP2RX7
SCHEMBL30047510 0.86 PPIA (0.31) PPIAP2RX7
SCHEMBL23856570 0.86 PPIA (0.31) PPIAP2RX7
SCHEMBL30253411 0.86 PPIA (0.33) PPIAP2RX7
SCHEMBL23857385 0.81 STK17B (0.39) ACACBACACA
SCHEMBL30253173 0.81 STK17B (0.39) ACACBACACA
SCHEMBL28908791 0.78 P2RX7 (0.35) PPIAP2RX7ACACB
SCHEMBL23857192 0.77 AAK1 (0.32) —
SCHEMBL30047724 0.77 AAK1 (0.32) —

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 PPIA 1730/4885P2RX7 575/4885ACACB 2630/4885

“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.

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