SCHEMBL2114707

SCHEMBL2114707

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)NCCc3ccccc3)C21)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.39
FKBP1A P62942 4/20 0.39
BIRC3 Q13489 1/20 0.39
BIRC2 Q13490 2/20 0.39
CYP2C19 P33261 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
MC4R P32245 1/20 0.36
EPHX2 P34913 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2115282 0.93 XIAP (0.40) XIAPFKBP1ABIRC3BIRC2ALDH1A1
SCHEMBL2116957 0.90 XIAP (0.41) XIAPBIRC3BIRC2
SCHEMBL2115379 0.89 ALDH1A1 (0.38) XIAPBIRC3BIRC2ALDH1A1
SCHEMBL2115930 0.88 XIAP (0.43) XIAPBIRC3BIRC2
SCHEMBL2115900 0.86 ALDH1A1 (0.37) XIAPBIRC3BIRC2CYP2C19ALDH1A1
SCHEMBL2117802 0.86 XIAP (0.37) XIAPBIRC3BIRC2ALDH1A1POLB
SCHEMBL2116974 0.86 CYP3A4 (0.35) XIAPBIRC3BIRC2CYP3A4
SCHEMBL2113999 0.85 EPHX2 (0.35) XIAPBIRC3BIRC2EPHX2
SCHEMBL2115491 0.84 XIAP (0.40) XIAPBIRC3BIRC2
SCHEMBL2115825 0.84 XIAP (0.40) XIAPBIRC3BIRC2ALDH1A1

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 1/4885FKBP1A 1122/4885BIRC3 5/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885FKBP1A 1122/4885BIRC3 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.