SCHEMBL30047585

SCHEMBL30047585

CC(C)(C)OC(=O)NCCOc1cc2c(c(C#N)n1)CC(C=O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ SYK P43405 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ F2R P25116 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ STK17B O94768 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ SCN9A Q15858 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
SCHEMBL23871569 1.00 CA12 (0.36) CA12CA1CA2CA9SYK
SCHEMBL23856482 0.87 — —
SCHEMBL30046636 0.86 STK17B (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL23871671 0.86 STK17B (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL23871572 0.85 CA12 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL30048678 0.82 JAK3 (0.32) SYKJAK3BTKAAK1
SCHEMBL23857613 0.82 JAK3 (0.32) SYKJAK3BTKAAK1
SCHEMBL23871521 0.81 CA12 (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL23871711 0.77 CA12 (0.40) CA12CA1CA2CA9PDK2
SCHEMBL30253329 0.77 CA12 (0.40) CA12CA1CA2CA9PDK2

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
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 — — CN 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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