SCHEMBL2113164

SCHEMBL2113164

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)Nc3ccc4ccccc4c3)C21)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.43
BIRC2 Q13490 12/20 0.38
BIRC3 Q13489 10/20 0.38
EPHX2 P34913 1/20 0.37
ADAM17 P78536 1/20 0.36
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2114000 0.92 XIAP (0.38) XIAPBIRC2BIRC3
SCHEMBL2116478 0.91 EPHX2 (0.41) XIAPBIRC2BIRC3EPHX2ADAM17
SCHEMBL2114216 0.90 EPHX2 (0.40) XIAPBIRC2BIRC3EPHX2RAB9A
SCHEMBL2115491 0.88 XIAP (0.40) XIAPBIRC2BIRC3
SCHEMBL2113658 0.88 XIAP (0.35) XIAPBIRC2BIRC3RAB9ACYP2C9
SCHEMBL2115163 0.88 XIAP (0.42) XIAPBIRC2BIRC3EPHX2GAA
SCHEMBL2115895 0.86 XIAP (0.45) XIAPBIRC2BIRC3CYP2C9
SCHEMBL2115853 0.85 XIAP (0.41) XIAPBIRC2BIRC3ALDH1A1
SCHEMBL2113710 0.84 XIAP (0.44) XIAPEPHX2ADAM17GAASMN1; SMN2
SCHEMBL2115164 0.83 EPHX2 (0.41) XIAPEPHX2ADAM17

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 1/4885BIRC2 4/4885BIRC3 5/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885BIRC2 4/4885BIRC3 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.