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SCHEMBL13611018

SCHEMBL13611018

C[C@@H]1NC(=O)C(C)(C)CCC/C=C\CCC[C@@](C)(C(=O)N[C@@H](N[C@@H](C=O)Cc2ccccc2)C(=O)N[C@@H](N[C@@H](C=O)CC(N)=O)C(=O)NC(N[C@@H](C)C=O)C(=O)N[C@@H](N[C@@H](C=O)Cc2ccccc2)C(=O)N[C@H](N[C@@H](C=O)Cc2ccc(O)cc2)C(=O)N[C@@H](N[C@@H](C)C=O)C(=O)N[C@@H](N[C@@H](C=O)CCCNC(=N)N)C(=O)N[C@@H](N[C@@H](C=O)CCCNC(=N)N)C(N)=O)NC(=O)[C@H](N[C@@H](C=O)CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EIF4E P06730 3/20 0.42
▸ EIF4EBP1 Q13541 3/20 0.42
▸ BCL2A1 Q16548 4/20 0.42
▸ MCL1 Q07820 2/20 0.42
▸ KRAS P01116 6/20 0.37
▸ MDM4 O15151 4/20 0.37
▸ MDM2 Q00987 4/20 0.37
▸ RXFP4 Q8TDU9 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ PCSK9 Q8NBP7 1/20 0.35

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
SCHEMBL13575408 1.00 EIF4E (0.42) EIF4EEIF4EBP1BCL2A1MCL1KRAS
SCHEMBL13611021 0.99 BCL2A1 (0.42) EIF4EEIF4EBP1BCL2A1MCL1KRAS
SCHEMBL13610980 0.74 ESR1 (0.38) EIF4EEIF4EBP1BCL2A1MCL1KRAS
SCHEMBL13227595 0.74 NPY4R (0.40) —
SCHEMBL13227587 0.74 NPY4R (0.40) —
SCHEMBL13575404 0.73 ESR1 (0.42) EIF4EEIF4EBP1BCL2A1MCL1KRAS
SCHEMBL13227619 0.72 BCL2A1 (0.50) BCL2A1MCL1MDM4MDM2RXFP4
SCHEMBL13227597 0.72 BCL2A1 (0.51) BCL2A1MCL1MDM4MDM2RXFP4
SCHEMBL13227599 0.71 MDM2 (0.49) EIF4EEIF4EBP1BCL2A1MDM4MDM2
SCHEMBL13227611 0.71 BCL2A1 (0.50) BCL2A1MCL1MDM4MDM2RXFP4

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-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 — — 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-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 EIF4E 2608/4885EIF4EBP1 1296/4885BCL2A1 268/4885

“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.