SCHEMBL31615113

SCHEMBL31615113

CC(C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.44
▸ MLX Q9UH92 1/20 0.44
▸ ACE P12821 2/20 0.43
▸ ELANE P08246 8/20 0.42
▸ CMA1 P23946 1/20 0.41
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ CALCRL Q16602 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ REN P00797 2/20 0.37

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
SCHEMBL30558184 0.91 XIAP (0.43) XIAPMLXACEELANECMA1
SCHEMBL29567397 0.90 ELANE (0.50) XIAPMLXACEELANECMA1
SCHEMBL29411300 0.88 ELANE (0.46) XIAPMLXACEELANECMA1
SCHEMBL29567142 0.87 ELANE (0.42) XIAPMLXELANECMA1
SCHEMBL1404290 0.87 ACE (0.41) XIAPMLXACEELANECMA1
SCHEMBL23229944 0.87 ACE (0.41) XIAPMLXACEELANECMA1
SCHEMBL1404295 0.87 ACE (0.41) XIAPMLXACEELANECMA1
SCHEMBL29566972 0.86 XIAP (0.45) XIAPMLXACEELANECMA1
SCHEMBL30263777 0.86 REN (0.50) ACEF2REN
SCHEMBL30102197 0.86 XIAP (0.41) XIAPMLXACEELANECMA1

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-20250186319-A1 ANAPLEROTIC COMPOSITIONS AND USES THEREOF EXCELLA BIOSCIENTIFIC LTD (IL) 2025-06-12 — — 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-20250186319-A1 ANAPLEROTIC COMPOSITIONS AND USES THEREOF OAT, PC, ACAT1 XIAP 3106/4885MLX 1278/4885ACE 2539/4885

“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.

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