SCHEMBL2115379

SCHEMBL2115379

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)NC(Cc3ccccc3)C(=O)O)C21)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
XIAP P98170 6/20 0.38
BIRC3 Q13489 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACE P12821 5/20 0.37
MME P08473 3/20 0.37
CPA1 P15085 3/20 0.37
ACE2 Q9BYF1 3/20 0.37
HSD17B10 Q99714 1/20 0.37
BIRC2 Q13490 3/20 0.36
USP30 Q70CQ3 1/20 0.36
CTSB P07858 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 0.89 XIAP (0.40) ALDH1A1XIAPBIRC3BIRC2
SCHEMBL2114707 0.89 XIAP (0.39) ALDH1A1XIAPBIRC3BIRC2
SCHEMBL2115930 0.88 XIAP (0.43) XIAPBIRC3BIRC2
SCHEMBL2116957 0.88 XIAP (0.41) XIAPBIRC3BIRC2
SCHEMBL2117802 0.85 XIAP (0.37) ALDH1A1XIAPBIRC3BIRC2
SCHEMBL2113999 0.83 EPHX2 (0.35) XIAPBIRC3BIRC2
SCHEMBL2115491 0.83 XIAP (0.40) XIAPBIRC3LMNABIRC2
SCHEMBL2115825 0.82 XIAP (0.40) ALDH1A1XIAPBIRC3BIRC2
SCHEMBL2115900 0.82 ALDH1A1 (0.37) ALDH1A1XIAPBIRC3LMNABIRC2
SCHEMBL2114097 0.82 XIAP (0.49) 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 ALDH1A1 4750/4885XIAP 1/4885BIRC3 5/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ALDH1A1 4750/4885XIAP 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.