SCHEMBL23857385

SCHEMBL23857385

CC(C)(C)OC(=O)NCCOc1cc2c(c(Cl)n1)CC(CO)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ IDO1 P14902 3/20 0.36
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SLC5A1 P13866 1/20 0.33

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
SCHEMBL30253173 1.00 STK17B (0.39) STK17BSTK17ACA12CA1CA2
SCHEMBL30406809 0.89 CA12 (0.39) STK17BSTK17ACA12CA1CA2
SCHEMBL23871636 0.89 CA12 (0.39) STK17BSTK17ACA12CA1CA2
Lithium Ion SCHEMBL30253157 0.88 CA12 (0.38) STK17BSTK17ACA12CA1CA2
SCHEMBL23871671 0.85 STK17B (0.38) STK17BSTK17ACA12CA1CA2
SCHEMBL30046636 0.85 STK17B (0.38) STK17BSTK17ACA12CA1CA2
SCHEMBL23857243 0.81 PPIA (0.31) ACACBACACA
SCHEMBL30253187 0.81 PPIA (0.31) ACACBACACA
SCHEMBL23856868 0.76 PTGER4 (0.31) —
SCHEMBL22917487 0.74 STK17B (0.49) STK17BSTK17ACA12CA1CA2

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 STK17B 1687/4885STK17A 2411/4885CA12 2660/4885

“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.

Send feedback