SCHEMBL1635720

SCHEMBL1635720

CC(C)[C@H](NC(=O)[C@H](C)N(C)C(=O)O)C(=O)N1CCNC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
XIAP P98170 13/20 0.43
BIRC3 Q13489 8/20 0.42
CASP9 P55211 1/20 0.42
BIRC2 Q13490 8/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL12467215 0.90 XIAP (0.44) TSHRMEN1KMT2AHTTXIAP
SCHEMBL4596585 0.90 TSHR (0.48) TSHRMEN1KMT2AXIAPBIRC3
SCHEMBL4596577 0.86 TSHR (0.48) TSHRMEN1KMT2AXIAPBIRC3
SCHEMBL2163915 0.85 TSHR (0.49) TSHRXIAPBIRC3CASP9BIRC2
SCHEMBL3811996 0.84 XIAP (0.46) TSHRMEN1KMT2AHTTXIAP
SCHEMBL3815275 0.83 ALDH1A1 (0.51) TSHRMEN1KMT2AHTTXIAP
SCHEMBL13197251 0.82 XIAP (0.52) XIAPBIRC3CASP9BIRC2
SCHEMBL3819039 0.82 MAPT (0.45) TSHRMEN1KMT2AHTTXIAP
SCHEMBL2163910 0.81 TSHR (0.45) TSHRXIAPBIRC3CASP9BIRC2
SCHEMBL2163914 0.81 TSHR (0.45) TSHRXIAPBIRC3CASP9BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TSHR 4087/4885MEN1 2921/4885KMT2A 3414/4885

“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.