SCHEMBL896286

SCHEMBL896286

C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.43
CASP9 P55211 1/20 0.43
BIRC2 Q13490 12/20 0.41
BIRC3 Q13489 9/20 0.41
BIRC7 Q96CA5 3/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ELANE P08246 1/20 0.38

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
SCHEMBL896287 1.00 XIAP (0.43) XIAPCASP9BIRC2BIRC3BIRC7
SCHEMBL896274 0.90 BIRC2 (0.43) XIAPCASP9BIRC2BIRC3BIRC7
SCHEMBL10066058 0.88 XIAP (0.46) XIAPCASP9BIRC2BIRC3BIRC7
SCHEMBL10066055 0.88 XIAP (0.43) XIAPCASP9BIRC2BIRC3BIRC7
SCHEMBL13104648 0.86 XIAP (0.54) XIAPCASP9BIRC2BIRC3BIRC7
SCHEMBL10066061 0.86 XIAP (0.46) XIAPCASP9BIRC2BIRC3BIRC7
SCHEMBL13104651 0.83 XIAP (0.47) XIAPCASP9BIRC2BIRC3BIRC7
SCHEMBL20151716 0.83 XIAP (0.56) XIAPCASP9BIRC2BIRC3
SCHEMBL10081736 0.82 BIRC2 (0.44) XIAPCASP9BIRC2BIRC3BIRC7
SCHEMBL3439205 0.82 XIAP (0.45) XIAPCASP9BIRC2BIRC3BIRC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586542-B2 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
US-20130281385-A1 SMALL MOLECULE APOPTOSIS PROMOTERS JOYANT PHARMACEUTICALS, INC. 2013-10-24 US disclosed
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-8222291-B2 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120082640-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-20120082640-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-7807699-B2 Dimeric pyrrolidine amide-containing small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2010-10-05 US disclosed
US-7807699-B2 Dimeric pyrrolidine amide-containing small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2010-10-05 US disclosed
US-7807699-B2 Dimeric pyrrolidine amide-containing small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2010-10-05 US disclosed
US-20080051389-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2008-02-28 US disclosed
US-20080051389-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2008-02-28 US disclosed
US-20080051389-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2008-02-28 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-20130281385-A1 SMALL MOLECULE APOPTOSIS PROMOTERS BID, BAD, BAX XIAP 31/4885CASP9 30/4885BIRC2 11/4885
US-20080051389-A1 Small molecule apoptosis promoters BID, BAD, BAX XIAP 31/4885CASP9 30/4885BIRC2 11/4885
US-20120082640-A1 Small molecule apoptosis promoters BID, BAD, BAX XIAP 31/4885CASP9 30/4885BIRC2 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.