SCHEMBL2359073

SCHEMBL2359073

C[C@H](N)C(=O)N[C@H]1CCCCN(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.58
ACE P12821 1/20 0.58
APP P05067 2/20 0.54
STAT3 P40763 2/20 0.53
TPSAB1 Q15661 6/20 0.51
TPSD1 Q9BZJ3 6/20 0.51
TPSG1 Q9NRR2 6/20 0.51
XIAP P98170 1/20 0.51
SRC P12931 3/20 0.50
NPY1R P25929 1/20 0.50
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50

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
SCHEMBL1329174 0.80 ACE (0.60) MMEACEXIAP
SCHEMBL1329177 0.80 ACE (0.60) MMEACEXIAP
SCHEMBL12724698 0.75 XIAP (0.70) STAT3XIAP
SCHEMBL12724632 0.75 XIAP (0.70) STAT3XIAP
SCHEMBL12857226 0.74 LNPEP (0.48) MMEACESTAT3TPSAB1TPSD1
SCHEMBL7347027 0.74 ACE (1.00) MMEACE
SCHEMBL7347023 0.74 ACE (1.00) MMEACE
SCHEMBL7347032 0.74 ACE (1.00) MMEACE
SCHEMBL7347867 0.73 ACE (0.98) MMEACE
SCHEMBL7347861 0.73 ACE (0.98) MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US claimed
EP-1902065-A2 CYCLIC AMIDE DERIVATIVES INHIBITORS OF THE INHIBITOR OF APOPTOSIS PROTEINS, THEIR PREPARATION, AND THEIR USE Novartis AG (CH) 2008-03-26 EP claimed
WO-2006133147-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-12-14 WO claimed
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 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 (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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 MME 3989/4885ACE 3425/4885APP 953/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 MME 3990/4885ACE 3421/4885APP 951/4885

“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.