SCHEMBL23856467

SCHEMBL23856467

Cc1nc(OCCNC(=O)OC(C)(C)C)c(C)c2c1CC(CO)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ EPHX1 P07099 1/20 0.34
▸ STK17B O94768 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ POLB P06746 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
SCHEMBL30253416 1.00 CA12 (0.38) CA12CA1CA2CA9TDP1
SCHEMBL23857523 0.86 CA12 (0.38) CA12CA1CA2CA9TDP1
SCHEMBL30047308 0.86 CA12 (0.38) CA12CA1CA2CA9TDP1
SCHEMBL30047692 0.82 CA12 (0.40) CA12CA1CA2CA9TDP1
SCHEMBL23871611 0.82 CA12 (0.40) CA12CA1CA2CA9TDP1
SCHEMBL23871636 0.80 CA12 (0.39) CA12CA1CA2CA9TDP1
SCHEMBL30406809 0.80 CA12 (0.39) CA12CA1CA2CA9TDP1
SCHEMBL23857075 0.79 CA12 (0.38) CA12CA1CA2CA9TDP1
Lithium Ion SCHEMBL30253157 0.79 CA12 (0.38) CA12CA1CA2CA9TDP1
SCHEMBL23856772 0.78 CA12 (0.39) CA12CA1CA2CA9TDP1

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 CA12 2660/4885CA1 4207/4885CA2 2939/4885

“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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