SCHEMBL10066040

SCHEMBL10066040

C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.45
BIRC2 Q13490 7/20 0.45
BIRC3 Q13489 4/20 0.44
BIRC7 Q96CA5 2/20 0.44
CMA1 P23946 7/20 0.43
ACE P12821 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL894486 0.88 XIAP (0.46) XIAPBIRC2BIRC3BIRC7
SCHEMBL894485 0.88 XIAP (0.46) XIAPBIRC2BIRC3BIRC7
SCHEMBL3439011 0.88 ALDH1A1 (0.46) XIAPBIRC2BIRC3BIRC7ALDH1A1
SCHEMBL10066062 0.86 XIAP (0.55) XIAPBIRC2BIRC3CMA1ACE
SCHEMBL10081797 0.86 XIAP (0.55) XIAPBIRC2BIRC3CMA1ACE
SCHEMBL15343982 0.85 BIRC2 (0.48) XIAPBIRC2BIRC3BIRC7ALDH1A1
SCHEMBL3726249 0.85 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL13260007 0.85 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL10066041 0.85 BIRC2 (0.57) XIAPBIRC2BIRC3BIRC7
SCHEMBL10066042 0.84 XIAP (0.48) XIAPBIRC2BIRC3BIRC7ALDH1A1

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 12 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-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
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 (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 31/4885BIRC2 11/4885BIRC3 7/4885
US-20080051389-A1 Small molecule apoptosis promoters BID, BAD, BAX XIAP 31/4885BIRC2 11/4885BIRC3 7/4885
US-20120082640-A1 Small molecule apoptosis promoters BID, BAD, BAX XIAP 31/4885BIRC2 11/4885BIRC3 7/4885

“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.