SCHEMBL1329980

SCHEMBL1329980

CCC(NC)C(=O)N[C@H]1CCC(=O)N2CCC[C@@H](c3cccc(C(=O)c4ccccc4)c3)N2C1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CASP1 P29466 2/20 0.43
XIAP P98170 3/20 0.41
BIRC3 Q13489 1/20 0.41
BIRC2 Q13490 1/20 0.41
LCK P06239 13/20 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
SCHEMBL1330685 0.89 MME (0.46) MMEACECASP1XIAPBIRC3
SCHEMBL1329612 0.88 MME (0.46) MMEACEXIAPBIRC3BIRC2
SCHEMBL1330929 0.82 LCK (0.42) MMEACELCK
SCHEMBL1330235 0.79 XIAP (0.54) XIAPBIRC3BIRC2
SCHEMBL1330225 0.78 XIAP (0.60) XIAPBIRC3BIRC2
SCHEMBL1331115 0.78 XIAP (0.60) XIAPBIRC3BIRC2
SCHEMBL1330906 0.77 MME (0.46) MMEACECASP1XIAPBIRC3
SCHEMBL4770315 0.77 ACE (0.61) MMEACECASP1LCK
SCHEMBL12128047 0.76 MME (0.48) MMEACEXIAPBIRC3BIRC2
SCHEMBL1328679 0.75 MME (0.47) MMEACEXIAPBIRC3BIRC2

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 10 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-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 3425/4885CASP1 43/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 MME 3990/4885ACE 3421/4885CASP1 43/4885

“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.