SCHEMBL1330740

SCHEMBL1330740

C[C@@H](C(=O)N[C@H]1CC=CC[C@H]2CC[C@@H](C(=O)NCCc3ccccc3)N2C1=O)N(C)C

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 17/20 0.65
BIRC2 Q13490 3/20 0.43
BIRC8 Q96P09 2/20 0.43
BIRC3 Q13489 2/20 0.42

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
SCHEMBL1330733 1.00 XIAP (0.65) XIAPBIRC2BIRC8BIRC3
SCHEMBL1331007 0.89 XIAP (0.66) XIAPBIRC2BIRC8BIRC3
SCHEMBL1331008 0.89 XIAP (0.66) XIAPBIRC2BIRC8BIRC3
SCHEMBL12125844 0.88 XIAP (0.57) XIAPBIRC2BIRC8BIRC3
SCHEMBL12724576 0.80 XIAP (0.98) XIAPBIRC2BIRC3
SCHEMBL13419774 0.79 XIAP (0.80) XIAPBIRC2BIRC8BIRC3
SCHEMBL1328964 0.79 XIAP (0.79) XIAPBIRC2BIRC8BIRC3
SCHEMBL12127799 0.77 XIAP (0.73) XIAPBIRC2BIRC8BIRC3
SCHEMBL1328692 0.77 XIAP (0.73) XIAPBIRC2BIRC8BIRC3
SCHEMBL1300496 0.74 XIAP (0.41) XIAPBIRC2BIRC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1/4885BIRC2 17/4885BIRC8 22/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 XIAP 1/4885BIRC2 17/4885BIRC8 22/4885

“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.