SCHEMBL2116478

SCHEMBL2116478

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)Nc3ccc4ncccc4c3)C21)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ADAM17 P78536 2/20 0.39
MMP1 P03956 1/20 0.39
OGA O60502 2/20 0.38
CHRM5 P08912 2/20 0.36
XIAP P98170 3/20 0.35
MAT2A P31153 2/20 0.35
BIRC3 Q13489 1/20 0.35
BIRC2 Q13490 1/20 0.35
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
FCER2 P06734 1/20 0.34
NPY5R Q15761 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL2114216 0.91 EPHX2 (0.40) EPHX2XIAPBIRC3BIRC2NPC1
SCHEMBL2113164 0.91 XIAP (0.43) EPHX2ADAM17XIAPBIRC3BIRC2
SCHEMBL2113710 0.87 XIAP (0.44) EPHX2ADAM17MMP1XIAPPOLB
SCHEMBL2113472 0.86 XIAP (0.36) XIAPBIRC3BIRC2MEN1KMT2A
SCHEMBL2114000 0.86 XIAP (0.38) XIAPBIRC3BIRC2MAPT
SCHEMBL2115895 0.84 XIAP (0.45) XIAPBIRC3BIRC2CYP3A4CYP2C9
SCHEMBL2113658 0.84 XIAP (0.35) XIAPBIRC3BIRC2NPC1RAB9A
SCHEMBL2115163 0.83 XIAP (0.42) EPHX2XIAPBIRC3BIRC2MAPT
SCHEMBL2115164 0.82 EPHX2 (0.41) EPHX2ADAM17MMP1XIAP
SCHEMBL2113800 0.82 XIAP (0.35) EPHX2ADAM17MMP1XIAPBIRC3

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.