SCHEMBL1751631

SCHEMBL1751631

CCc1ccccc1OCC=C[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.38
CMA1 P23946 10/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CAPN1 P07384 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 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
SCHEMBL12529480 1.00 ELANE (0.38) ELANECMA1KMT2AMEN1CAPN1
SCHEMBL14001843 1.00 ELANE (0.38) ELANECMA1KMT2AMEN1CAPN1
SCHEMBL12529482 0.95 MEN1 (0.36) ELANECMA1KMT2AMEN1HRH2
SCHEMBL12021131 0.90 ACACB (0.35) KMT2AMEN1CAPN1
SCHEMBL19696653 0.88 XIAP (0.39) ELANEKMT2AMEN1CAPN1HRH1
SCHEMBL1750899 0.88 XIAP (0.39) ELANEKMT2AMEN1CAPN1HRH1
SCHEMBL12021136 0.88 XIAP (0.39) ELANEKMT2AMEN1CAPN1HRH1
SCHEMBL12021297 0.85 USP30 (0.40) KMT2AMEN1
SCHEMBL4456408 0.85 USP30 (0.40) KMT2AMEN1
SCHEMBL12021128 0.85 MEN1 (0.33) KMT2AMEN1

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 11 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-20110294827-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-01 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
US-20060025347-A1 IAP binding compounds MEDIVIR AB (SE) 2006-02-02 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 (6 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 ELANE 426/4885CMA1 1575/4885KMT2A 4634/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 ELANE 435/4885CMA1 1667/4885KMT2A 4596/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 ELANE 426/4885CMA1 1575/4885KMT2A 4634/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 ELANE 397/4885CMA1 1839/4885KMT2A 4541/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 ELANE 397/4885CMA1 1839/4885KMT2A 4541/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 ELANE 397/4885CMA1 1839/4885KMT2A 4541/4885

“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.