SCHEMBL2631845

SCHEMBL2631845

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)Nc1cccc3ccccc13)CN2C(=O)CNC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP8 Q14790 1/20 0.38
CASP10 Q92851 1/20 0.38
PREP P48147 2/20 0.38
CMA1 P23946 2/20 0.37
MAPT P10636 1/20 0.37
CTSL P07711 1/20 0.37
KLK7 P49862 2/20 0.36
KLK5 Q9Y337 2/20 0.36
ELANE P08246 2/20 0.35
TGM2 P21980 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL13049934 1.00 ITGB3 (0.39) ITGB3ITGA2BCASP1CASP3CASP2
SCHEMBL2117039 1.00 ITGB3 (0.39) ITGB3ITGA2BCASP1CASP3CASP2
SCHEMBL2112858 0.90 CASP1 (0.37) ITGB3ITGA2BCASP1CASP3CASP2
SCHEMBL2631852 0.90 CASP1 (0.37) ITGB3ITGA2BCASP1CASP3CASP2
SCHEMBL13049937 0.90 CASP1 (0.37) ITGB3ITGA2BCASP1CASP3CASP2
SCHEMBL2632174 0.89 PREP (0.41) PREPELANE
SCHEMBL2115504 0.89 PREP (0.41) PREPELANE
SCHEMBL13049935 0.89 PREP (0.40) CASP1CASP3CASP2CASP4CASP5
SCHEMBL2115499 0.89 PREP (0.40) CASP1CASP3CASP2CASP4CASP5
SCHEMBL2631847 0.89 PREP (0.40) CASP1CASP3CASP2CASP4CASP5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 US disclosed
WO-2010138496-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 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-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ITGB3 3897/4885ITGA2B 3486/4885CASP1 57/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ITGB3 3897/4885ITGA2B 3486/4885CASP1 57/4885

“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.