SCHEMBL2115422

SCHEMBL2115422

COC(=O)C1CN(C(=O)OCc2ccccc2)C2CCN(C(=O)C(NC(=O)OC(C)(C)C)C3CCCCC3)C12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.52
KLK5 Q9Y337 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
FKBP1A P62942 2/20 0.40
PDE4B Q07343 1/20 0.40
ELANE P08246 1/20 0.39
REN P00797 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2622093 1.00 CTSL (0.52) CTSLKLK5ITGB3ITGA2BFKBP1A
SCHEMBL13049917 0.94 CTSL (0.51) CTSLITGB3ITGA2BELANEMAPK1
SCHEMBL17577890 0.93 CTSL (0.51) CTSLITGB3ITGA2BELANEMAPK1
SCHEMBL17577895 0.91 CTSL (0.49) CTSLITGB3ITGA2BMAPK1
SCHEMBL2622146 0.91 CTSL (0.49) CTSLITGB3ITGA2BMAPK1
SCHEMBL2115417 0.91 CTSL (0.49) CTSLITGB3ITGA2BMAPK1
SCHEMBL2622097 0.88 CTSL (0.40) CTSLRENMAPK1
SCHEMBL2113431 0.88 CTSL (0.40) CTSLELANEREN
SCHEMBL2113432 0.88 CTSL (0.40) CTSLRENMAPK1
SCHEMBL2441255 0.87 CTSL (0.57) CTSLITGB3ITGA2BFKBP1AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434889-B1 IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2016-03-09 EP disclosed
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
EP-2434889-A1 IAP INHIBITORS Tetralogic Pharmaceuticals Corp. (US) 2012-04-04 EP 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 CTSL 134/4885KLK5 2327/4885ITGB3 3897/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CTSL 134/4885KLK5 2327/4885ITGB3 3897/4885

“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.