SCHEMBL2113658

SCHEMBL2113658

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)Nc3ccc4ccccc4n3)C21)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.35
BIRC2 Q13490 11/20 0.35
BIRC3 Q13489 7/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 5/20 0.33
CYP2C9 P11712 2/20 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
SCHEMBL2113164 0.88 XIAP (0.43) XIAPBIRC2BIRC3RAB9ACYP2C9
SCHEMBL2114216 0.88 EPHX2 (0.40) XIAPBIRC2BIRC3NPC1RAB9A
SCHEMBL2114000 0.87 XIAP (0.38) XIAPBIRC2BIRC3
SCHEMBL2115163 0.87 XIAP (0.42) XIAPBIRC2BIRC3CYP3A4CYP2C9
SCHEMBL2113710 0.85 XIAP (0.44) XIAP
SCHEMBL2115895 0.85 XIAP (0.45) XIAPBIRC2BIRC3CYP3A4CYP2C9
SCHEMBL2116478 0.84 EPHX2 (0.41) XIAPBIRC2BIRC3NPC1RAB9A
SCHEMBL2113472 0.84 XIAP (0.36) XIAPBIRC2BIRC3CYP3A4CYP2C9
SCHEMBL2113800 0.84 XIAP (0.35) XIAPBIRC2BIRC3CYP3A4CYP2C9
SCHEMBL2115164 0.84 EPHX2 (0.41) XIAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 XIAP 1/4885BIRC2 4/4885BIRC3 5/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885BIRC2 4/4885BIRC3 5/4885

“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.