SCHEMBL2113024

SCHEMBL2113024

CC(C(=O)NC(C(=O)N1CCC2NCC(C(=O)Nc3ccccc3)C21)C1CCCCC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 2/20 0.37
XIAP P98170 7/20 0.37
BIRC3 Q13489 3/20 0.37
BIRC2 Q13490 6/20 0.36
TSHR P16473 1/20 0.35
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTR1E P28566 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR3 Q99500 1/20 0.32
ELANE P08246 1/20 0.32
REN P00797 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
SCHEMBL10284064 1.00 BUB1 (0.37) BUB1XIAPBIRC3BIRC2TSHR
SCHEMBL15312668 0.87 CTSL (0.34) XIAPBIRC3BIRC2TSHRCTSV
SCHEMBL2632156 0.86 XIAP (0.30) XIAPBIRC3BIRC2
SCHEMBL2117956 0.86 XIAP (0.30) XIAPBIRC3BIRC2
SCHEMBL17554686 0.85 XIAP (0.36) BUB1XIAPBIRC3BIRC2TSHR
SCHEMBL2631855 0.82 XIAP (0.53) XIAPBIRC3BIRC2
SCHEMBL2631843 0.82 XIAP (0.53) XIAPBIRC3BIRC2
SCHEMBL13048215 0.81
SCHEMBL2117031 0.81 HSD17B10 (0.39) TSHRCTSLCTSSCTSKLMNA
SCHEMBL2622149 0.81 HSD17B10 (0.39) TSHRCTSLCTSSCTSKLMNA

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 3 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-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 (1 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-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 BUB1 1650/4885XIAP 1/4885BIRC3 5/4885

“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.