SCHEMBL25185802

SCHEMBL25185802

CC(C)CCOCC(C(=O)O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.38
MMP13 P45452 1/20 0.34
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
REN P00797 1/20 0.30

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
SCHEMBL31407669 0.85 AAK1 (0.35) AAK1MMP13TDP1
SCHEMBL8598647 0.83 AAK1 (0.39) AAK1MMP13MEN1GAAKMT2A
SCHEMBL21447936 0.83 AAK1 (0.39) AAK1MMP13MEN1GAAKMT2A
SCHEMBL31407757 0.82 AAK1 (0.36) AAK1MMP13MEN1GAAKMT2A
SCHEMBL4445820 0.82 MMP13 (0.38) AAK1MMP13MEN1GAAKMT2A
SCHEMBL4452992 0.82 MMP13 (0.38) AAK1MMP13MEN1GAAKMT2A
SCHEMBL25185703 0.82 MMP13 (0.38) AAK1MMP13MEN1GAAKMT2A
SCHEMBL18686904 0.81 ITGB3 (0.33) AAK1MMP13KMT2A
SCHEMBL31407666 0.79 MMP13 (0.35) AAK1MMP13MEN1GAAKMT2A
SCHEMBL4705364 0.79 AAK1 (0.36) AAK1MMP13MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
EP-4043478-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITING ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-08-17 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 (3 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS AAK1 928/4885MMP13 3770/4885MEN1 492/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS AAK1 928/4885MMP13 3770/4885MEN1 492/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS AAK1 928/4885MMP13 3770/4885MEN1 492/4885

“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.