SCHEMBL30406809

SCHEMBL30406809

Cc1nc(OCCNC(=O)OC(C)(C)C)cc2c1CC(CO)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ PDK2 Q15119 1/20 0.35
▸ STK17B O94768 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.34
▸ STING1 Q86WV6 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ IGF1R P08069 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
SCHEMBL23871636 1.00 CA12 (0.39) CA12CA1CA2CA9PDK2
Lithium Ion SCHEMBL30253157 0.99 CA12 (0.38) CA12CA1CA2CA9PDK2
SCHEMBL30253173 0.89 STK17B (0.39) CA12CA1CA2CA9PDK2
SCHEMBL23857385 0.89 STK17B (0.39) CA12CA1CA2CA9PDK2
SCHEMBL23856868 0.88 PTGER4 (0.31) —
SCHEMBL23857034 0.84 CA12 (0.38) CA12CA1CA2CA9PDK2
SCHEMBL30047517 0.84 CA12 (0.38) CA12CA1CA2CA9PDK2
SCHEMBL23857378 0.83 CA1 (0.43) CA12CA1CA2CA9PDK2
SCHEMBL30253263 0.83 CA1 (0.43) CA12CA1CA2CA9PDK2
SCHEMBL23856467 0.80 CA12 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 — — US 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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