SCHEMBL895174

SCHEMBL895174

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.44
CASP9 P55211 1/20 0.44
BIRC2 Q13490 7/20 0.43
BIRC3 Q13489 3/20 0.43
TSHR P16473 1/20 0.42
AADAT Q8N5Z0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
EPHX2 P34913 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
SCHEMBL3439040 0.86 ALDH1A1 (0.46) XIAPBIRC3AADATALDH1A1LMNA
SCHEMBL896284 0.83 ALDH1A1 (0.43) XIAPCASP9BIRC2BIRC3AADAT
SCHEMBL10066056 0.81 XIAP (0.48) XIAPBIRC2BIRC3ALDH1A1LMNA
SCHEMBL10066053 0.81 KCNH2 (0.46) XIAPCASP9BIRC2BIRC3ALDH1A1
SCHEMBL3439008 0.81 XIAP (0.52) XIAPBIRC2BIRC3ALDH1A1LMNA
SCHEMBL13260006 0.80 BIRC2 (0.47) XIAPCASP9BIRC2BIRC3AADAT
SCHEMBL10081804 0.79 XIAP (0.57) XIAPCASP9BIRC2BIRC3
SCHEMBL3439205 0.79 XIAP (0.45) XIAPCASP9BIRC2BIRC3ALDH1A1
SCHEMBL10066059 0.79 XIAP (0.46) XIAPBIRC2BIRC3ALDH1A1LMNA
SCHEMBL896276 0.79 BIRC2 (0.42) XIAPCASP9BIRC2BIRC3ALDH1A1

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 31/4885CASP9 30/4885BIRC2 11/4885

“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.