SCHEMBL2114782

SCHEMBL2114782

CC(NCC(=O)OC(C)(C)C)C(=O)NC(C(=O)N1CCC2C1C(C(=O)Nc1cccc3ccccc13)CN2C(=O)CNC(=O)C(=O)NCC(=O)N1CC(C(=O)Nc2cccc3ccccc23)C2C1CCN2C(=O)C(NC(=O)C(C)NCC(=O)OC(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.36
FAP Q12884 1/20 0.36
CCKBR P32239 1/20 0.35
KDM4E B2RXH2 1/20 0.33
BIRC3 Q13489 8/20 0.33
BIRC2 Q13490 8/20 0.33
HDAC8 Q9BY41 1/20 0.32
NTMT1 Q9BV86 1/20 0.31
CYP3A4 P08684 1/20 0.31
CASP9 P55211 1/20 0.31

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
SCHEMBL2631846 0.90 XIAP (0.45) XIAPKDM4EBIRC3BIRC2CYP3A4
SCHEMBL23847519 0.90 XIAP (0.45) XIAPKDM4EBIRC3BIRC2CYP3A4
SCHEMBL13048262 0.90 XIAP (0.45) XIAPKDM4EBIRC3BIRC2CYP3A4
SCHEMBL2113161 0.90 XIAP (0.45) XIAPKDM4EBIRC3BIRC2CYP3A4
SCHEMBL13048244 0.88 XIAP (0.38) XIAPFAPCCKBRKDM4EBIRC3
SCHEMBL13049936 0.88 XIAP (0.38) XIAPFAPCCKBRKDM4EBIRC3
SCHEMBL2632185 0.88 XIAP (0.38) XIAPFAPCCKBRKDM4EBIRC3
SCHEMBL2632188 0.84 XIAP (0.40) XIAPBIRC3BIRC2CYP3A4CASP9
SCHEMBL2631845 0.81 ITGB3 (0.39) CASP9
SCHEMBL2117039 0.81 ITGB3 (0.39) CASP9

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
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

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 XIAP 1/4885FAP 18/4885CCKBR 1512/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885FAP 18/4885CCKBR 1512/4885

“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.