SCHEMBL3439008

SCHEMBL3439008

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XIAP P98170 5/20 0.52
OPRM1 P35372 1/20 0.49
ACE P12821 1/20 0.47
BIRC3 Q13489 1/20 0.47
BIRC2 Q13490 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL10066065 0.91 XIAP (0.57) XIAPOPRM1BIRC3BIRC2
SCHEMBL10081371 0.89 XIAP (0.65) XIAPBIRC3BIRC2
SCHEMBL13119703 0.88 XIAP (0.53) XIAPBIRC3BIRC2
SCHEMBL10066062 0.88 XIAP (0.55) XIAPACEBIRC3BIRC2
SCHEMBL10081797 0.88 XIAP (0.55) XIAPACEBIRC3BIRC2
SCHEMBL3439047 0.88 XIAP (0.53) XIAPOPRM1BIRC3BIRC2
SCHEMBL10082409 0.87 OPRM1 (0.51) OPRM1ALDH1A1LMNAMAPT
SCHEMBL10066063 0.87 OPRM1 (0.51) OPRM1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL895599 0.86 OPRM1 (0.51) OPRM1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL895597 0.86 OPRM1 (0.51) OPRM1ALDH1A1LMNAMAPT

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 6 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
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 (2 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 31/4885OPRM1 4408/4885ACE 4776/4885
US-20080051389-A1 Small molecule apoptosis promoters BID, BAD, BAX XIAP 31/4885OPRM1 4408/4885ACE 4776/4885

“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.