SCHEMBL1329174

SCHEMBL1329174

C[C@H](N)C(=O)NC1CCc2ccccc2N(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.60
MME P08473 8/20 0.60
XIAP P98170 5/20 0.57
BCL2L11 O43521 3/20 0.56
BCL2 P10415 3/20 0.56
MCL1 Q07820 3/20 0.56
SCN9A Q15858 2/20 0.55

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
SCHEMBL1329177 1.00 ACE (0.60) ACEMMEXIAPBCL2L11BCL2
SCHEMBL2359073 0.80 MME (0.58) ACEMMEXIAP
SCHEMBL29494164 0.75 ACE (1.00) ACEMME
SCHEMBL7441045 0.75 ACE (1.00) ACEMME
SCHEMBL6440328 0.75 ACE (1.00) ACEMME
SCHEMBL7444580 0.75 ACE (1.00) ACEMME
SCHEMBL7444571 0.75 ACE (1.00) ACEMME
SCHEMBL6440330 0.75 ACE (1.00) ACEMME
SCHEMBL7343245 0.75 ACE (1.00) ACEMME
SCHEMBL7368989 0.75 ACE (1.00) ACEMME

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-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 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 ACE 3425/4885MME 3989/4885XIAP 1/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 ACE 3421/4885MME 3990/4885XIAP 1/4885

“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.