Sugi Predict

Sugi Predict / Compounds / SCHEMBL13610980

SCHEMBL13610980

SCHEMBL13610980

CN[C@@]1(C)CCC/C=C\CCC[C@@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](N[C@@H](C=O)CC(=O)O)C(=O)N[C@H](N[C@@H](C=O)CCCNC(=N)N)C(=O)N[C@@H](N[C@@H](C=O)CO)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](N[C@@H](C=O)CC(=O)O)NC(=O)CNC(=O)[C@H](N[C@@H](C=O)C(C)C)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.38
▸ MCL1 Q07820 6/20 0.37
▸ BCL2A1 Q16548 4/20 0.37
▸ EIF4E P06730 2/20 0.35
▸ EIF4EBP1 Q13541 2/20 0.35
▸ NFE2L2 Q16236 1/20 0.34
▸ YWHAZ P63104 2/20 0.33
▸ ESR2 Q92731 2/20 0.32
▸ KRAS P01116 1/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ MDM2 Q00987 1/20 0.32

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
SCHEMBL13575404 0.95 ESR1 (0.42) ESR1MCL1BCL2A1EIF4EEIF4EBP1
SCHEMBL13575408 0.74 EIF4E (0.42) MCL1BCL2A1EIF4EEIF4EBP1NFE2L2
SCHEMBL13611018 0.74 EIF4E (0.42) MCL1BCL2A1EIF4EEIF4EBP1NFE2L2
SCHEMBL13611021 0.72 BCL2A1 (0.42) MCL1BCL2A1EIF4EEIF4EBP1NFE2L2
SCHEMBL12581010 0.71 ESR1 (0.31) ESR1MCL1BCL2A1KRAS
SCHEMBL13227619 0.71 BCL2A1 (0.50) MCL1BCL2A1MDM4MDM2
SCHEMBL17880463 0.71 KRAS (0.48) ESR1MCL1EIF4EEIF4EBP1YWHAZ
SCHEMBL13227597 0.71 BCL2A1 (0.51) ESR1MCL1BCL2A1MDM4MDM2
SCHEMBL17880423 0.70 KRAS (0.45) ESR1MCL1EIF4EEIF4EBP1KRAS
SCHEMBL13227603 0.70 ESR1 (0.45) ESR1ESR2KRAS

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 ESR1 1982/4885MCL1 5/4885BCL2A1 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.