SCHEMBL2116974

SCHEMBL2116974

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)NCC3CCCCC3)C21)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
BIRC2 Q13490 13/20 0.34
XIAP P98170 11/20 0.33
BIRC3 Q13489 7/20 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
SCHEMBL2113999 0.89 EPHX2 (0.35) BIRC2XIAPBIRC3
SCHEMBL2115282 0.86 XIAP (0.40) BIRC2XIAPBIRC3
SCHEMBL2114707 0.86 XIAP (0.39) CYP3A4BIRC2XIAPBIRC3
SCHEMBL2116957 0.85 XIAP (0.41) BIRC2XIAPBIRC3
SCHEMBL2115900 0.85 ALDH1A1 (0.37) CYP3A4BIRC2XIAPBIRC3
SCHEMBL2115930 0.84 XIAP (0.43) BIRC2XIAPBIRC3
SCHEMBL2115379 0.81 ALDH1A1 (0.38) BIRC2XIAPBIRC3
SCHEMBL2115491 0.81 XIAP (0.40) BIRC2XIAPBIRC3
SCHEMBL2115825 0.81 XIAP (0.40) BIRC2XIAPBIRC3
SCHEMBL2114097 0.80 XIAP (0.49) BIRC2XIAPBIRC3

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 CYP3A4 3818/4885BIRC2 4/4885XIAP 1/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CYP3A4 3818/4885BIRC2 4/4885XIAP 1/4885

“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.