SCHEMBL29400810

SCHEMBL29400810

CC(C)(C)OC(=O)CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.52
KMT2A Q03164 2/20 0.47
MDM2 Q00987 2/20 0.46
MDM4 O15151 2/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL14265315 1.00 CASP3 (0.52) CASP3KMT2AMDM2MDM4TP53
SCHEMBL16061957 0.93 KMT2A (0.50) CASP3KMT2AMDM2MDM4TP53
SCHEMBL16060727 0.92 CASP3 (0.50) CASP3KMT2AMDM2MDM4TP53
SCHEMBL25206792 0.92 CASP3 (0.50) CASP3KMT2AMDM2MDM4TP53
SCHEMBL25268084 0.92 CASP3 (0.50) CASP3KMT2AMDM2MDM4TP53
SCHEMBL119715 0.91 CASP3 (0.55) CASP3KMT2AMDM2MDM4TP53
SCHEMBL14265316 0.91 CASP3 (0.55) CASP3KMT2AMDM2MDM4TP53
SCHEMBL29402145 0.91 CASP3 (0.55) CASP3KMT2AMDM2MDM4TP53
SCHEMBL29398965 0.90 CASP3 (0.45) CASP3KMT2AMDM2MDM4TP53
SCHEMBL6609333 0.90 CASP3 (0.45) CASP3KMT2AMDM2MDM4TP53

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-20250332300-A1 HER2 TARGETING CYCLIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2025-10-30 US disclosed
CN-115925790-A Methods for synthesizing alpha 4 beta 7 peptide antagonists 领导医疗有限公司 2023-04-07 CN 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-20250332300-A1 HER2 TARGETING CYCLIC PEPTIDES AND CONJUGATES THEREOF ERBB2, EGFR, ERBB3 CASP3 1904/4885KMT2A 3524/4885MDM2 673/4885

“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.