SCHEMBL10066041

SCHEMBL10066041

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 15/20 0.57
XIAP P98170 13/20 0.57
BIRC3 Q13489 10/20 0.57
BIRC7 Q96CA5 3/20 0.57

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
Hydrochloric Acid SCHEMBL894476 0.99 XIAP (0.57) BIRC2XIAPBIRC3BIRC7
Hydrochloric Acid SCHEMBL894477 0.99 XIAP (0.57) BIRC2XIAPBIRC3BIRC7
SCHEMBL12421623 0.96 XIAP (0.55) BIRC2XIAPBIRC3BIRC7
SCHEMBL10081345 0.94 BIRC2 (0.59) BIRC2XIAPBIRC3BIRC7
SCHEMBL13104356 0.93 BIRC2 (0.59) BIRC2XIAPBIRC3BIRC7
SCHEMBL10066042 0.91 XIAP (0.48) BIRC2XIAPBIRC3BIRC7
SCHEMBL15343982 0.91 BIRC2 (0.48) BIRC2XIAPBIRC3BIRC7
SCHEMBL10081796 0.91 XIAP (0.62) BIRC2XIAPBIRC3BIRC7
SCHEMBL10081728 0.91 BIRC2 (0.57) BIRC2XIAPBIRC3BIRC7
SCHEMBL10082404 0.90 BIRC2 (0.60) BIRC2XIAPBIRC3BIRC7

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