SCHEMBL30440150

SCHEMBL30440150

CC(C)C[C@H](NC(=O)OC(C)(C)C)C1CC1CCO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CTSK P43235 3/20 0.40
▸ CTSL P07711 2/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CAPN1 P07384 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.34

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
SCHEMBL30440233 0.83 CA1 (0.40) GAAL3MBTL1CA1CA2CA7
SCHEMBL30440112 0.76 MEN1 (0.39) CTSKCTSLCTSSCTSBHTT
SCHEMBL3469151 0.73 CA1 (0.46) GAAL3MBTL1CA1CA2CA7
SCHEMBL6791378 0.73 CA1 (0.46) GAAL3MBTL1CA1CA2CA7
SCHEMBL28953786 0.73 CA1 (0.46) GAAL3MBTL1CA1CA2CA7
SCHEMBL13617288 0.73 CA1 (0.46) GAAL3MBTL1CA1CA2CA7
SCHEMBL8270799 0.73 CA1 (0.46) GAAL3MBTL1CA1CA2CA7
SCHEMBL13694102 0.73 CA1 (0.46) GAAL3MBTL1CA1CA2CA7
SCHEMBL12420412 0.73 GAA (0.35) GAAL3MBTL1CA1CA2CA7
SCHEMBL10681261 0.70 CA1 (0.43) GAAL3MBTL1CA1CA2CA7

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-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 — — 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-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 GAA 2457/4885L3MBTL1 1197/4885CA1 3521/4885

“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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