SCHEMBL2116482

SCHEMBL2116482

CNC(C)C(=O)NC(C(=O)N1CCC2C1C(C(=O)Nc1ccc3ncccc3c1)CN2S(C)(=O)=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
ADAM17 P78536 2/20 0.40
MMP1 P03956 1/20 0.40
CHRM5 P08912 2/20 0.39
XIAP P98170 8/20 0.39
BIRC2 Q13490 6/20 0.39
BIRC3 Q13489 4/20 0.39
CYP3A4 P08684 6/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2632205 1.00 EPHX2 (0.42) EPHX2ADAM17MMP1CHRM5XIAP
SCHEMBL2114218 0.91 EPHX2 (0.41) EPHX2XIAPBIRC2BIRC3CYP3A4
SCHEMBL2632175 0.91 EPHX2 (0.41) EPHX2XIAPBIRC2BIRC3CYP3A4
SCHEMBL2632116 0.90 XIAP (0.47) XIAPBIRC2BIRC3
SCHEMBL2113166 0.90 XIAP (0.47) XIAPBIRC2BIRC3
SCHEMBL23847452 0.87 XIAP (0.48) EPHX2XIAPBIRC2BIRC3CYP3A4
SCHEMBL2632147 0.87 XIAP (0.48) EPHX2XIAPBIRC2BIRC3CYP3A4
SCHEMBL2113712 0.87 XIAP (0.48) EPHX2XIAPBIRC2BIRC3CYP3A4
SCHEMBL2113474 0.86 XIAP (0.41) XIAPBIRC2BIRC3CYP3A4CYP2C9
SCHEMBL2632118 0.86 XIAP (0.41) XIAPBIRC2BIRC3CYP3A4CYP2C9

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 3715/4885ADAM17 186/4885MMP1 910/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 EPHX2 3715/4885ADAM17 186/4885MMP1 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.