SCHEMBL895256

SCHEMBL895256

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
BIRC2 Q13490 6/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
XIAP P98170 5/20 0.41
BIRC3 Q13489 3/20 0.41
CASP9 P55211 1/20 0.41
EPHX2 P34913 1/20 0.41
AADAT Q8N5Z0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL895173 0.85 XIAP (0.47) ALDH1A1SMN1; SMN2LMNABIRC2XIAP
SCHEMBL3439011 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNABIRC2CYP3A4
SCHEMBL896284 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNABIRC2CYP3A4
SCHEMBL10066040 0.81 XIAP (0.45) ALDH1A1SMN1; SMN2LMNABIRC2XIAP
SCHEMBL15343982 0.79 BIRC2 (0.48) ALDH1A1SMN1; SMN2LMNABIRC2XIAP
SCHEMBL10066041 0.78 BIRC2 (0.57) BIRC2XIAPBIRC3
SCHEMBL13260006 0.78 BIRC2 (0.47) ALDH1A1SMN1; SMN2LMNABIRC2CYP3A4
Hydrochloric Acid SCHEMBL5097891 0.77 XIAP (0.48) BIRC2XIAPBIRC3
SCHEMBL10066042 0.77 XIAP (0.48) ALDH1A1SMN1; SMN2LMNABIRC2XIAP
Hydrochloric Acid SCHEMBL894476 0.77 XIAP (0.57) BIRC2XIAPBIRC3

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 ALDH1A1 4619/4885SMN1; SMN2 803/4885LMNA 685/4885

“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.