SCHEMBL895173

SCHEMBL895173

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XIAP P98170 8/20 0.47
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
BIRC2 Q13490 6/20 0.42
BIRC3 Q13489 3/20 0.42
F2 P00734 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL896284 0.86 ALDH1A1 (0.43) XIAPALDH1A1LMNAMAPTBIRC2
SCHEMBL895256 0.85 ALDH1A1 (0.45) XIAPALDH1A1LMNAMAPTBIRC2
SCHEMBL10066063 0.83 OPRM1 (0.51) ALDH1A1LMNAMAPT
SCHEMBL10082409 0.83 OPRM1 (0.51) ALDH1A1LMNAMAPT
SCHEMBL3439008 0.83 XIAP (0.52) XIAPALDH1A1LMNAMAPTBIRC2
SCHEMBL895869 0.83 XIAP (0.52) XIAPBIRC2BIRC3
Hydrochloric Acid SCHEMBL895599 0.82 OPRM1 (0.51) ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL895597 0.82 OPRM1 (0.51) ALDH1A1LMNAMAPT
SCHEMBL10066062 0.81 XIAP (0.55) XIAPBIRC2BIRC3F2
SCHEMBL10081797 0.81 XIAP (0.55) XIAPBIRC2BIRC3F2

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 2 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-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 XIAP 31/4885ALDH1A1 4619/4885LMNA 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.