SCHEMBL2631852

SCHEMBL2631852

C[C@@H](C(=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)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
CASP2 P42575 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP8 Q14790 1/20 0.37
CASP10 Q92851 1/20 0.37
XIAP P98170 2/20 0.37
BIRC3 Q13489 1/20 0.37
BIRC2 Q13490 1/20 0.37
PREP P48147 2/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
CMA1 P23946 1/20 0.33
CTSK P43235 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL13049937 1.00 CASP1 (0.37) CASP1CASP3CASP2CASP4CASP5
SCHEMBL2112858 1.00 CASP1 (0.37) CASP1CASP3CASP2CASP4CASP5
SCHEMBL2632185 0.92 XIAP (0.38) XIAPBIRC3BIRC2HDAC8ALDH1A1
SCHEMBL13049936 0.92 XIAP (0.38) XIAPBIRC3BIRC2HDAC8ALDH1A1
SCHEMBL13048244 0.92 XIAP (0.38) XIAPBIRC3BIRC2HDAC8ALDH1A1
SCHEMBL13049934 0.90 ITGB3 (0.39) CASP1CASP3CASP2CASP4CASP5
SCHEMBL2117039 0.90 ITGB3 (0.39) CASP1CASP3CASP2CASP4CASP5
SCHEMBL2631845 0.90 ITGB3 (0.39) CASP1CASP3CASP2CASP4CASP5
SCHEMBL2622187 0.88 XIAP (0.39) CASP9XIAPBIRC3BIRC2PREP
SCHEMBL13049938 0.88 XIAP (0.39) CASP9XIAPBIRC3BIRC2PREP

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 CASP1 57/4885CASP3 98/4885CASP2 123/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CASP1 57/4885CASP3 98/4885CASP2 123/4885

“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.