SCHEMBL30992274

SCHEMBL30992274

CN(C(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C)[C@@H](CC1CC1)C(=O)N1C[C@@]2(C[C@H]1C(N)=O)Oc1c(C#N)cccc1NC2=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.34
▸ CTSK P43235 3/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL27245026 0.91 CTSL (0.31) CTSSCTSKCTSLCTSB
SCHEMBL27244844 0.90 — —
SCHEMBL27244849 0.90 — —
SCHEMBL30992263 0.90 BACE1 (0.30) —
SCHEMBL30992241 0.89 CTSS (0.34) CTSSCTSKCTSLCTSBAAK1
SCHEMBL30890480 0.86 — —
SCHEMBL27244809 0.85 BACE1 (0.30) —
SCHEMBL27244792 0.85 BACE1 (0.30) —
SCHEMBL30992258 0.83 AAK1 (0.34) CTSSCTSKIDO1AAK1
SCHEMBL30890716 0.83 AAK1 (0.32) CTSSCTSKIDO1AAK1

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 CTSS 649/4885CTSK 1688/4885IDO1 3030/4885

“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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