SCHEMBL29846262

SCHEMBL29846262

COC(=O)CCC[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CAPN1 P07384 1/20 0.46
▸ AAK1 Q2M2I8 4/20 0.43
▸ CTSK P43235 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ PLA2G10 O15496 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL17577036 0.87 PLA2G10 (0.55) CA1CA2CA7CAPN1AAK1
SCHEMBL28175055 0.85 CTSK (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL2727644 0.85 CA2 (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL211543 0.85 CA2 (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL211542 0.85 CA2 (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL9606612 0.85 CTSK (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL7444041 0.84 TDP1 (0.49) CA1CA2CA7CAPN1AAK1
SCHEMBL28467190 0.83 TSHR (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL24387611 0.82 CA1 (0.49) CA1CA2CA7CAPN1AAK1
SCHEMBL20064066 0.81 CTSK (0.44) CA1CA2CA7CTSKCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486231-B2 Targeted nitroxide compounds and their use in treating ferroptosis-related diseases University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-12-02 — — US disclosed
US-20220259149-A1 Targeted Nitroxide Compounds and Their Use in Treating Ferroptosis-Related Diseases DEFENSE THREAT REDUCTION AGENCY, US DOD 2022-08-18 — — 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 (2 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-12486231-B2 Targeted nitroxide compounds and their use in treating ferroptosis-related diseases HMOX1, AIFM2, HMOX2 CA1 2936/4885CA2 3508/4885CA7 4164/4885
US-20220259149-A1 Targeted Nitroxide Compounds and Their Use in Treating Ferroptosis-Related Diseases HMOX1, AIFM2, HMOX2 CA1 2936/4885CA2 3508/4885CA7 4164/4885

“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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