SCHEMBL30992255

SCHEMBL30992255

COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(Br)ccc1NC2=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.40
▸ PTPN1 P18031 1/20 0.36
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ BRD4 O60885 4/20 0.35
▸ NR1H2 P55055 4/20 0.35
▸ NR1H3 Q13133 3/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ RXRA P19793 2/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ BACE1 P56817 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
SCHEMBL30992283 0.90 CCNB2 (0.36) IMPDH2CCNB2CDK1CCNB1GSK3B
SCHEMBL30992285 0.87 IMPDH2 (0.41) IMPDH2PTPN1BRD4NR1H2NR1H3
SCHEMBL30992253 0.86 IMPDH2 (0.39) IMPDH2PTPN1NR1H2NR1H3RXRA
SCHEMBL24446810 0.80 IMPDH2 (0.40) IMPDH2PTPN1CCNB2CDK1CCNB1
SCHEMBL30992237 0.80 IMPDH2 (0.40) IMPDH2PTPN1BRD4NR1H2NR1H3
SCHEMBL30992254 0.78 IMPDH2 (0.39) IMPDH2PTPN1NR1H2NR1H3
SCHEMBL30992248 0.78 IMPDH2 (0.43) IMPDH2PTPN1NR1H2NR1H3RXRA
SCHEMBL22300223 0.77 IDO1 (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL30890749 0.77 NR1H2 (0.42) BRD4NR1H2NR1H3RXRA
SCHEMBL30890471 0.77 NR1H2 (0.41) NR1H2NR1H3RXRA

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 IMPDH2 1033/4885PTPN1 1570/4885CCNB2 3759/4885

“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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