SCHEMBL10078889

SCHEMBL10078889

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 6/20 0.45
XIAP P98170 6/20 0.45
BIRC3 Q13489 1/20 0.45
CYP3A4 P08684 6/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
CASP9 P55211 1/20 0.42
DPP4 P27487 1/20 0.39
TNF P01375 1/20 0.37
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL18754863 1.00 BIRC2 (0.45) BIRC2XIAPBIRC3CYP3A4CYP2C9
SCHEMBL25638567 0.88 HTT (0.39) BIRC2XIAPBIRC3DPP4PREP
SCHEMBL13073730 0.86 BIRC2 (0.38) BIRC2XIAPBIRC3CYP3A4CYP2C9
SCHEMBL10080104 0.85 DPP4 (0.41) DPP4PREPFAPELANE
SCHEMBL3722484 0.85 BIRC2 (0.50) BIRC2XIAPBIRC3CYP3A4CYP2C9
SCHEMBL12747459 0.84 DPP4 (0.41) DPP4PREPFAPELANE
SCHEMBL22794202 0.84 DPP4 (0.41) DPP4PREPFAPELANE
SCHEMBL25917717 0.84 DPP4 (0.41) DPP4PREPFAPELANE
SCHEMBL9965794 0.84 DPP4 (0.49) BIRC2XIAPDPP4
SCHEMBL14050770 0.84 BIRC2 (0.54) BIRC2XIAPBIRC3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120195915-A1 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-08-02 US disclosed
US-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 US disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 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 (3 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-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 BIRC2 3/4885XIAP 6/4885BIRC3 2/4885
US-20120195915-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 BIRC2 2/4885XIAP 6/4885BIRC3 3/4885
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 BIRC2 2/4885XIAP 6/4885BIRC3 3/4885

“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.