SCHEMBL2115163

SCHEMBL2115163

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)Nc3cccc4ccccc34)C21)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XIAP P98170 12/20 0.42
ALPL P05186 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALPG P10696 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 2/20 0.35
BIRC3 Q13489 1/20 0.35
BIRC2 Q13490 1/20 0.35
EPHX2 P34913 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 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
SCHEMBL2115164 0.92 EPHX2 (0.41) XIAPEPHX2
SCHEMBL2113800 0.92 XIAP (0.35) XIAPBIRC3BIRC2EPHX2CYP2C19
SCHEMBL2113472 0.90 XIAP (0.36) XIAPBIRC3BIRC2CYP2C19CYP3A4
SCHEMBL2113710 0.89 XIAP (0.44) XIAPGAAMAPTHCRTR1EPHX2
SCHEMBL2115895 0.89 XIAP (0.45) XIAPBIRC3BIRC2CYP2C19CYP3A4
SCHEMBL2114000 0.89 XIAP (0.38) XIAPMAPTBIRC3BIRC2
SCHEMBL2113164 0.88 XIAP (0.43) XIAPGAAHCRTR1HCRTR2KDM4E
SCHEMBL2115825 0.88 XIAP (0.40) XIAPHCRTR1HCRTR2KDM4EBIRC3
SCHEMBL2113658 0.87 XIAP (0.35) XIAPBIRC3BIRC2CYP2C19CYP3A4
SCHEMBL2115853 0.85 XIAP (0.41) XIAPBIRC3BIRC2

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 1/4885ALPL 1579/4885GAA 200/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885ALPL 1579/4885GAA 200/4885

“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.