SCHEMBL2113710

SCHEMBL2113710

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)Nc3cccc4cccnc34)C21)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.44
EPHX2 P34913 1/20 0.40
GAA P10253 4/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
MMP1 P03956 2/20 0.35
ADAM17 P78536 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
LMNA P02545 2/20 0.35
HCRTR1 O43613 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2113472 0.90 XIAP (0.36) XIAPKMT2AALDH1A1
SCHEMBL2115163 0.89 XIAP (0.42) XIAPEPHX2GAAMAPTHCRTR1
SCHEMBL2113800 0.88 XIAP (0.35) XIAPEPHX2MMP1ADAM17
SCHEMBL2115164 0.88 EPHX2 (0.41) XIAPEPHX2MMP1ADAM17
SCHEMBL2116478 0.87 EPHX2 (0.41) XIAPEPHX2MAPTMMP1ADAM17
SCHEMBL2115895 0.85 XIAP (0.45) XIAP
SCHEMBL2113658 0.85 XIAP (0.35) XIAP
SCHEMBL2114000 0.85 XIAP (0.38) XIAPMAPT
SCHEMBL2113164 0.84 XIAP (0.43) XIAPEPHX2GAAADAM17HCRTR1
SCHEMBL2114216 0.84 EPHX2 (0.40) XIAPEPHX2TP53MAPTPOLB

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 1/4885EPHX2 3715/4885GAA 200/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885EPHX2 3715/4885GAA 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.