SCHEMBL2113472

SCHEMBL2113472

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)Nc3cccc4ncccc34)C21)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XIAP P98170 8/20 0.36
CYP3A4 P08684 6/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
PABPC1 P11940 2/20 0.35
EIF4H Q15056 2/20 0.35
P2RX7 Q99572 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BIRC3 Q13489 1/20 0.33
BIRC2 Q13490 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
SCHEMBL2113710 0.90 XIAP (0.44) XIAPKMT2AALDH1A1
SCHEMBL2115163 0.90 XIAP (0.42) XIAPCYP3A4CYP2C9CYP2C19BIRC3
SCHEMBL2115164 0.87 EPHX2 (0.41) XIAPTRPV1
SCHEMBL2113800 0.87 XIAP (0.35) XIAPCYP3A4CYP2C9CYP2C19TRPV1
SCHEMBL2116478 0.86 EPHX2 (0.41) XIAPCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2115895 0.84 XIAP (0.45) XIAPCYP3A4CYP2C9CYP2C19BIRC3
SCHEMBL2113658 0.84 XIAP (0.35) XIAPCYP3A4CYP2C9CYP2C19BIRC3
SCHEMBL2114000 0.84 XIAP (0.38) XIAPBIRC3BIRC2
SCHEMBL2114216 0.83 EPHX2 (0.40) XIAPCYP3A4CYP2C9CYP2C19TRPV1
SCHEMBL2113164 0.81 XIAP (0.43) XIAPCYP2C9ALDH1A1BIRC3BIRC2

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 XIAP 1/4885CYP3A4 3818/4885CYP2C9 4718/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885CYP3A4 3818/4885CYP2C9 4718/4885

“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.