SCHEMBL896276

SCHEMBL896276

CN(C(=O)O)[C@@H](CC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 8/20 0.42
XIAP P98170 10/20 0.42
BIRC3 Q13489 6/20 0.41
CASP9 P55211 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
BIRC7 Q96CA5 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL895869 0.90 XIAP (0.52) BIRC2XIAPBIRC3
SCHEMBL3439205 0.88 XIAP (0.45) BIRC2XIAPBIRC3CASP9ALDH1A1
SCHEMBL10066056 0.84 XIAP (0.48) BIRC2XIAPBIRC3ALDH1A1LMNA
SCHEMBL3439040 0.84 ALDH1A1 (0.46) XIAPBIRC3ALDH1A1LMNAMAPT
SCHEMBL896274 0.83 BIRC2 (0.43) BIRC2XIAPBIRC3CASP9BIRC7
SCHEMBL13119037 0.83 XIAP (0.45) BIRC2XIAPBIRC3ALDH1A1LMNA
SCHEMBL10066059 0.83 XIAP (0.46) BIRC2XIAPBIRC3ALDH1A1LMNA
SCHEMBL10066053 0.83 KCNH2 (0.46) BIRC2XIAPBIRC3CASP9ALDH1A1
SCHEMBL10081804 0.82 XIAP (0.57) BIRC2XIAPBIRC3CASP9BIRC7
SCHEMBL10081370 0.82 XIAP (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120082640-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2012-04-05 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 (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-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.