SCHEMBL4902286

SCHEMBL4902286

CC(C)[C@H](NC(=O)[C@H](C)N(CC(C)(C)C)C(=O)O)C(=O)N1CCN(C(=O)N(C)c2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 18/20 0.44
BIRC3 Q13489 15/20 0.44
BIRC2 Q13490 14/20 0.44
PSMB11 A5LHX3 1/20 0.42
PSMA7 O14818 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMA1 P25786 1/20 0.42
PSMA2 P25787 1/20 0.42
PSMA3 P25788 1/20 0.42
PSMA4 P25789 1/20 0.42
PSMB8 P28062 1/20 0.42
PSMB9 P28065 1/20 0.42
PSMA5 P28066 1/20 0.42
PSMB4 P28070 1/20 0.42
PSMB6 P28072 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB10 P40306 1/20 0.42
PSMB3 P49720 1/20 0.42
PSMB2 P49721 1/20 0.42
PSMA6 P60900 1/20 0.42

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
SCHEMBL3819866 0.91 XIAP (0.45) XIAPBIRC3BIRC2CASP9
SCHEMBL4902289 0.87 XIAP (0.44) XIAPBIRC3BIRC2PSMB11PSMA7
SCHEMBL3810572 0.87 XIAP (0.55) XIAPBIRC3BIRC2CASP9
SCHEMBL12465437 0.87 XIAP (0.55) XIAPBIRC3BIRC2CASP9
SCHEMBL3815022 0.80 XIAP (0.47) XIAPBIRC3BIRC2CASP9TSHR
SCHEMBL3811996 0.79 XIAP (0.46) XIAPBIRC3BIRC2CASP9TSHR
SCHEMBL3819865 0.78 XIAP (0.45) XIAPBIRC3BIRC2CASP9TSHR
SCHEMBL12467055 0.77 XIAP (0.42) XIAPBIRC3BIRC2PSMB11PSMA7
SCHEMBL1635042 0.77 XIAP (0.44) XIAPBIRC3BIRC2CASP9TSHR
SCHEMBL3809921 0.77 KMT2A (0.43) XIAPBIRC3BIRC2TSHR

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-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 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-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators API5, BCL2, BIRC5 XIAP 8/4885BIRC3 6/4885BIRC2 5/4885

“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.