SCHEMBL1329937

SCHEMBL1329937

CN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NCCc2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.52
IL1B P01584 1/20 0.51
CASP1 P29466 1/20 0.51
CTRC Q99895 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL1329939 1.00 ELANE (0.52) ELANEIL1BCASP1CTRCTP53
SCHEMBL12104568 0.90 ELANE (0.61) ELANEIL1BCASP1CTRC
SCHEMBL2321803 0.88 F2 (0.52) ELANECASP1TP53MAPTRXFP1
SCHEMBL2316482 0.87 CASP1 (0.52) ELANEIL1BCASP1CTRCTP53
SCHEMBL2316492 0.87 CASP1 (0.52) ELANEIL1BCASP1CTRCTP53
SCHEMBL4793432 0.86 ELANE (0.50) ELANEIL1BCASP1CTRC
SCHEMBL4793438 0.86 ELANE (0.50) ELANEIL1BCASP1CTRC
SCHEMBL12127800 0.84 MAPT (0.45) TP53MAPTRXFP1
SCHEMBL2318569 0.84 MAPT (0.45) TP53MAPTRXFP1
SCHEMBL2317449 0.84 ELANE (0.56) ELANECTRC

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 14 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-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-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
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US disclosed
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 disclosed
WO-2006133147-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-12-14 WO 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 ELANE 2303/4885IL1B 3546/4885CASP1 43/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 ELANE 2307/4885IL1B 3541/4885CASP1 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.