SCHEMBL12529482

SCHEMBL12529482

CCc1ccccc1OC/C=C/[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 4/20 0.35
CMA1 P23946 1/20 0.34
MCL1 Q07820 3/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL1751631 0.95 ELANE (0.38) MEN1KMT2AELANECMA1HRH2
SCHEMBL12529480 0.95 ELANE (0.38) MEN1KMT2AELANECMA1HRH2
SCHEMBL14001843 0.95 ELANE (0.38) MEN1KMT2AELANECMA1HRH2
SCHEMBL12021131 0.90 ACACB (0.35) MEN1KMT2AMCL1
SCHEMBL12021136 0.88 XIAP (0.39) MEN1KMT2AELANEHRH1
SCHEMBL1750899 0.88 XIAP (0.39) MEN1KMT2AELANEHRH1
SCHEMBL19696653 0.88 XIAP (0.39) MEN1KMT2AELANEHRH1
SCHEMBL12529508 0.84 MEN1 (0.37) MEN1KMT2AELANECMA1MCL1
SCHEMBL4456408 0.82 USP30 (0.40) MEN1KMT2AMCL1
SCHEMBL12021128 0.82 MEN1 (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 US disclosed
US-9394249-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2016-07-19 US disclosed
US-20150307448-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-10-29 US disclosed
US-8802716-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-08-12 US disclosed
US-20130289075-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 US disclosed
US-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 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 (4 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-20160289183-A1 IAP Binding Compounds BIRC5, API5, BIRC2 MEN1 2970/4885KMT2A 4634/4885ELANE 426/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 MEN1 3007/4885KMT2A 4596/4885ELANE 435/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 MEN1 2970/4885KMT2A 4634/4885ELANE 426/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 MEN1 2999/4885KMT2A 4541/4885ELANE 397/4885

“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.