SCHEMBL24633697

SCHEMBL24633697

C=CCOC(=O)C[C@@H](C(=O)OC(C)(C)c1ccccc1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.35
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34
FABP5 Q01469 3/20 0.33
FABP7 O15540 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
PTGIR P43119 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL22444620 0.91 CASP3 (0.36) CASP3FABP5FABP7NPSR1KMT2A
SCHEMBL22454850 0.91 CASP3 (0.36) CASP3FABP5FABP7NPSR1KMT2A
SCHEMBL29633912 0.91 CASP3 (0.36) CASP3FABP5FABP7NPSR1KMT2A
SCHEMBL21837756 0.87 CASP3 (0.40) CASP3MDM4TP53FABP5FABP7
SCHEMBL21837754 0.87 CASP3 (0.40) CASP3MDM4TP53FABP5FABP7
SCHEMBL30522070 0.87 CASP3 (0.40) CASP3MDM4TP53FABP5FABP7
SCHEMBL24579267 0.87 CASP3 (0.40) CASP3MDM4TP53FABP5FABP7
SCHEMBL30896033 0.87 CASP3 (0.42) CASP3MDM4TP53FABP5FABP7
SCHEMBL29697681 0.87 CASP3 (0.40) CASP3MDM4TP53FABP5FABP7
SCHEMBL30054786 0.87 CASP3 (0.40) CASP3MDM4TP53FABP5FABP7

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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CASP3 3906/4885MDM4 441/4885TP53 34/4885

“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.