SCHEMBL30992283

SCHEMBL30992283

CC(C)(C)OC(=O)N1C[C@@]2(C[C@H]1C(N)=O)Oc1cc(Br)ccc1NC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ NR1H2 P55055 5/20 0.34
▸ RXRA P19793 4/20 0.34
▸ NR1H3 Q13133 4/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ USP30 Q70CQ3 2/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ RORC P51449 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ IMPDH2 P12268 3/20 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
SCHEMBL30992255 0.90 IMPDH2 (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL30890482 0.87 POLB (0.40) NR1H2RXRANR1H3BRD4
SCHEMBL30890471 0.86 NR1H2 (0.41) NR1H2RXRANR1H3
SCHEMBL30890440 0.86 NR1H2 (0.35) NR1H2RXRANR1H3IMPDH2
SCHEMBL27244814 0.85 L3MBTL1 (0.33) USP2F2L3MBTL1LMNAPKM
SCHEMBL30890571 0.84 MAPT (0.34) IDO1USP2F2L3MBTL1LMNA
SCHEMBL30992270 0.84 USP30 (0.34) USP30
SCHEMBL30890744 0.83 AKR1B1 (0.35) NR1H2RXRANR1H3IMPDH2BACE1
SCHEMBL30890622 0.81 NR1H2 (0.38) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL30917881 0.80 NR1H2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3

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-20240199647-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-20 — — 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-20240199647-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 CCNB2 3759/4885CDK1 3783/4885CCNB1 4108/4885

“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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