SCHEMBL2317543

SCHEMBL2317543

CN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(N(C)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.41
CTRC Q99895 2/20 0.39
BIRC2 Q13490 1/20 0.38
XIAP P98170 1/20 0.37

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
SCHEMBL2317546 1.00 ELANE (0.41) ELANECTRCBIRC2XIAP
SCHEMBL2318571 0.97 ELANE (0.37) ELANECTRCBIRC2
SCHEMBL2318568 0.97 ELANE (0.37) ELANECTRCBIRC2
SCHEMBL2317933 0.91 ELANE (0.39) ELANECTRC
SCHEMBL2317929 0.91 ELANE (0.39) ELANECTRC
SCHEMBL2316289 0.88 ELANE (0.36) ELANECTRC
SCHEMBL2316297 0.88 ELANE (0.36) ELANECTRC
SCHEMBL380707 0.86 ELANE (0.34) ELANECTRCBIRC2XIAP
SCHEMBL380708 0.86 ELANE (0.34) ELANECTRCBIRC2XIAP
SCHEMBL12125905 0.85 ELANE (0.45) 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 11 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
CN-101193908-A Organic compounds NOVARTIS AG (CH) 2008-06-04 CN 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 ELANE 2303/4885CTRC 4666/4885BIRC2 17/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 ELANE 2307/4885CTRC 4666/4885BIRC2 17/4885

“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.