SCHEMBL1331111

SCHEMBL1331111

CCC(NC)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C[S+]([O-])CCc3ccccc3)N2C1=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 18/20 0.52
BIRC3 Q13489 1/20 0.52
BIRC2 Q13490 1/20 0.52
ACE P12821 1/20 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
SCHEMBL12128043 0.96 XIAP (0.58) XIAPBIRC3BIRC2ACE
SCHEMBL1329628 0.96 XIAP (0.58) XIAPBIRC3BIRC2ACE
SCHEMBL1329835 0.89 XIAP (0.50) XIAPBIRC3BIRC2
SCHEMBL12127842 0.86 XIAP (0.54) XIAPBIRC3BIRC2ACE
SCHEMBL1329556 0.85 XIAP (0.55) XIAPBIRC3BIRC2ACE
SCHEMBL1331056 0.85 XIAP (0.56) XIAPBIRC3BIRC2
SCHEMBL1331267 0.83 XIAP (0.54) XIAPBIRC3BIRC2
SCHEMBL12127811 0.82 XIAP (0.60) XIAPBIRC3BIRC2ACE
SCHEMBL1330862 0.81 XIAP (0.53) XIAPBIRC3BIRC2
SCHEMBL1330148 0.80 MME (0.51) XIAPBIRC3BIRC2ACE

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 8 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-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 XIAP 1/4885BIRC3 9/4885BIRC2 17/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 XIAP 1/4885BIRC3 9/4885BIRC2 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.