SCHEMBL30752653

SCHEMBL30752653

CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCc2ccccc2)C[C@H]1C=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ TLR4 O00206 1/20 0.45
▸ EPHX1 P07099 1/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ CPB1 P15086 1/20 0.43
▸ DPP4 P27487 5/20 0.43
▸ DPP7 Q9UHL4 5/20 0.43
▸ KCNH2 Q12809 3/20 0.42

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
SCHEMBL26503934 1.00 ALDH1A1 (0.49) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL9006197 1.00 ALDH1A1 (0.49) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL30404918 0.87 ALDH1A1 (0.48) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL25181699 0.87 ALDH1A1 (0.48) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL30752608 0.87 ABCB1 (0.50) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL29200858 0.86 ALDH1A1 (0.50) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL28661407 0.86 TSHR (0.48) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL29200855 0.86 ALDH1A1 (0.50) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL8990082 0.86 ALDH1A1 (0.50) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL16204631 0.86 ABCB1 (0.51) ALDH1A1GAACTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125386-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS THERAS INC (US) 2026-05-07 — — US disclosed
US-20260042764-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS THERAS INC (US) 2026-02-12 — — US disclosed
EP-4565579-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS Theras, Inc. (US) 2025-06-11 — — EP 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-20260125386-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS KRAS, NRAS, HRAS ALDH1A1 3596/4885GAA 2625/4885CTSL 4024/4885
US-20260042764-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS KRAS, NRAS, HRAS ALDH1A1 2677/4885GAA 3626/4885CTSL 3653/4885

“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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