SCHEMBL13393702

SCHEMBL13393702

CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NCl)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.55
▸ MLX Q9UH92 1/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.47
▸ BIRC2 Q13490 1/20 0.45
▸ ELANE P08246 12/20 0.43
▸ FKBP5 Q13451 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ CTSG P08311 1/20 0.40

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
SCHEMBL13393767 1.00 XIAP (0.55) XIAPMLXTAAR1BIRC2ELANE
SCHEMBL13393703 0.91 XIAP (0.53) XIAPMLXTAAR1BIRC2ELANE
SCHEMBL13393685 0.87 XIAP (0.52) XIAPMLXTAAR1BIRC2ELANE
SCHEMBL13379994 0.86 XIAP (0.49) XIAPMLXTAAR1BIRC2ELANE
SCHEMBL13393690 0.84 PKM (0.57) XIAPMLXTAAR1BIRC2ELANE
SCHEMBL13393858 0.84 XIAP (0.53) XIAPMLXTAAR1ELANEF2
SCHEMBL13393698 0.84 XIAP (0.77) XIAPMLXTAAR1BIRC2ELANE
SCHEMBL13393918 0.84 XIAP (0.77) XIAPMLXTAAR1BIRC2ELANE
SCHEMBL13393688 0.84 XIAP (0.53) XIAPMLXTAAR1BIRC2ELANE
SCHEMBL13393679 0.84 PKM (0.57) XIAPMLXTAAR1BIRC2ELANE

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-20100093645-A1 SMAC Peptidomimetics and the Uses Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2010-04-15 — — 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-20100093645-A1 SMAC Peptidomimetics and the Uses Thereof BID, AIFM1, BAD XIAP 21/4885MLX 758/4885TAAR1 4268/4885

“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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