SCHEMBL3439047

SCHEMBL3439047

C[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)N(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.53
BIRC3 Q13489 2/20 0.48
BIRC2 Q13490 2/20 0.48
OPRM1 P35372 1/20 0.46
LNPEP Q9UIQ6 2/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
BIRC7 Q96CA5 1/20 0.45

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
SCHEMBL13119703 0.92 XIAP (0.53) XIAPBIRC3BIRC2BIRC7
SCHEMBL10081737 0.90 XIAP (0.54) XIAPBIRC3BIRC2
SCHEMBL895868 0.90 XIAP (0.54) XIAPBIRC3BIRC2
SCHEMBL10066065 0.90 XIAP (0.57) XIAPBIRC3BIRC2OPRM1BIRC7
SCHEMBL15567009 0.90 XIAP (0.55) XIAPBIRC3BIRC2
SCHEMBL15567008 0.90 XIAP (0.55) XIAPBIRC3BIRC2
SCHEMBL895869 0.89 XIAP (0.52) XIAPBIRC3BIRC2LNPEP
SCHEMBL3439205 0.89 XIAP (0.45) XIAPBIRC3BIRC2MEN1HTT
SCHEMBL10081371 0.88 XIAP (0.65) XIAPBIRC3BIRC2BIRC7
SCHEMBL3439008 0.88 XIAP (0.52) XIAPBIRC3BIRC2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281385-A1 SMALL MOLECULE APOPTOSIS PROMOTERS JOYANT PHARMACEUTICALS, INC. 2013-10-24 US disclosed
US-8222291-B2 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-7807699-B2 Dimeric pyrrolidine amide-containing small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2010-10-05 US disclosed
EP-1996184-A2 SMALL MOLECULE APOPTOSIS PROMOTERS Joyant Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
WO-2007136921-A2 SMALL MOLECULE APOPTOSIS PROMOTERS JOYANT PHARMACEUTICALS, INC. (US) 2007-11-29 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 (1 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-20130281385-A1 SMALL MOLECULE APOPTOSIS PROMOTERS BID, BAD, BAX XIAP 31/4885BIRC3 7/4885BIRC2 11/4885

“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.