SCHEMBL2115164

SCHEMBL2115164

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)Nc3cccc4cnccc34)C21)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
TRPV1 Q8NER1 16/20 0.38
MMP1 P03956 1/20 0.36
ADAM17 P78536 1/20 0.36
XIAP P98170 2/20 0.35

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
SCHEMBL2113800 0.95 XIAP (0.35) EPHX2TRPV1MMP1ADAM17XIAP
SCHEMBL2115163 0.92 XIAP (0.42) EPHX2XIAP
SCHEMBL2113710 0.88 XIAP (0.44) EPHX2MMP1ADAM17XIAP
SCHEMBL2113472 0.87 XIAP (0.36) TRPV1XIAP
SCHEMBL2115895 0.84 XIAP (0.45) XIAP
SCHEMBL2113658 0.84 XIAP (0.35) XIAP
SCHEMBL2114000 0.84 XIAP (0.38) XIAP
SCHEMBL2113164 0.83 XIAP (0.43) EPHX2ADAM17XIAP
SCHEMBL2114216 0.82 EPHX2 (0.40) EPHX2TRPV1XIAP
SCHEMBL2116478 0.82 EPHX2 (0.41) EPHX2MMP1ADAM17XIAP

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 EPHX2 3715/4885TRPV1 1942/4885MMP1 910/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 EPHX2 3715/4885TRPV1 1942/4885MMP1 910/4885

“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.