SCHEMBL4902289

SCHEMBL4902289

CC(C)[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)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 12/20 0.44
CASP9 P55211 1/20 0.44
TSHR P16473 1/20 0.42
BIRC2 Q13490 14/20 0.41
BIRC3 Q13489 10/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41
PSMA2 P25787 1/20 0.41
PSMA3 P25788 1/20 0.41
PSMA4 P25789 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMA5 P28066 1/20 0.41
PSMB4 P28070 1/20 0.41
PSMB6 P28072 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB10 P40306 1/20 0.41
PSMB3 P49720 1/20 0.41

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
SCHEMBL3815022 0.93 XIAP (0.47) XIAPCASP9TSHRBIRC2BIRC3
SCHEMBL3819865 0.91 XIAP (0.45) XIAPCASP9TSHRBIRC2BIRC3
SCHEMBL12467055 0.88 XIAP (0.42) XIAPCASP9BIRC2BIRC3PSMB11
SCHEMBL1635042 0.88 XIAP (0.44) XIAPCASP9TSHRBIRC2BIRC3
SCHEMBL12725500 0.87 XIAP (0.43) XIAPCASP9TSHRBIRC2BIRC3
SCHEMBL1635019 0.87 XIAP (0.43) XIAPCASP9TSHRBIRC2BIRC3
SCHEMBL1635017 0.87 XIAP (0.43) XIAPCASP9TSHRBIRC2BIRC3
SCHEMBL3820143 0.87 XIAP (0.43) XIAPCASP9TSHRBIRC2BIRC3
SCHEMBL4902286 0.87 XIAP (0.44) XIAPCASP9TSHRBIRC2BIRC3
SCHEMBL12466082 0.87 ALDH1A1 (0.47) XIAPCASP9TSHRBIRC2BIRC3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183955-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators NOVARTIS AG (CH) 2011-07-28 US disclosed
US-7932255-B2 Controlling cell proliferation NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932255-B2 Controlling cell proliferation NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 US disclosed
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 US disclosed
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 (2 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 8/4885CASP9 49/4885TSHR 4087/4885
US-20110183955-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators API5, BCL2, BIRC5 XIAP 8/4885CASP9 49/4885TSHR 4087/4885

“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.