SCHEMBL2114216

SCHEMBL2114216

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)Nc3cnc4ccccc4c3)C21)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
TRPV1 Q8NER1 2/20 0.36
SCN9A Q15858 1/20 0.36
XIAP P98170 4/20 0.35
ACP1 P24666 1/20 0.35
BIRC3 Q13489 1/20 0.35
BIRC2 Q13490 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL2116478 0.91 EPHX2 (0.41) EPHX2XIAPBIRC3BIRC2RAB9A
SCHEMBL2113164 0.90 XIAP (0.43) EPHX2XIAPBIRC3BIRC2RAB9A
SCHEMBL2114000 0.88 XIAP (0.38) XIAPBIRC3BIRC2MAPT
SCHEMBL2113658 0.88 XIAP (0.35) XIAPBIRC3BIRC2RAB9ANPC1
SCHEMBL2115895 0.85 XIAP (0.45) XIAPBIRC3BIRC2CNR2CYP3A4
SCHEMBL2115163 0.84 XIAP (0.42) EPHX2XIAPBIRC3BIRC2KDM4E
SCHEMBL2113710 0.84 XIAP (0.44) EPHX2XIAPSMN1; SMN2TP53MAPT
SCHEMBL2113472 0.83 XIAP (0.36) TRPV1XIAPBIRC3BIRC2CYP3A4
SCHEMBL2115164 0.82 EPHX2 (0.41) EPHX2TRPV1XIAP
SCHEMBL2113800 0.82 XIAP (0.35) EPHX2TRPV1XIAPBIRC3BIRC2

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 1942/4885SCN9A 2036/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 EPHX2 3715/4885TRPV1 1942/4885SCN9A 2036/4885

“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.