SCHEMBL1750041

SCHEMBL1750041

CCc1ccccc1OCCC[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.39
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
CMA1 P23946 8/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL12529490 1.00 ELANE (0.39) ELANEHRH2HRH1CMA1TLR2
SCHEMBL12529508 0.95 MEN1 (0.37) ELANEHRH2HRH1CMA1KMT2A
SCHEMBL12021172 0.90 L3MBTL1 (0.37) ELANEKMT2AMEN1MCL1
SCHEMBL12037500 0.87 XIAP (0.39) ELANEKMT2AMEN1
SCHEMBL1751484 0.87 XIAP (0.39) ELANEKMT2AMEN1
SCHEMBL17213721 0.87 XIAP (0.35) HRH1KMT2AMEN1
SCHEMBL12021130 0.84 L3MBTL1 (0.41) KMT2AMEN1
SCHEMBL12021344 0.84 L3MBTL1 (0.41) KMT2AMEN1MCL1
SCHEMBL1751807 0.84 L3MBTL1 (0.41) KMT2AMEN1MCL1
SCHEMBL1750703 0.83 ELANE (0.44) ELANEHRH2HRH1CMA1KMT2A

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 426/4885HRH2 4410/4885HRH1 4034/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 ELANE 435/4885HRH2 4420/4885HRH1 4099/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 ELANE 426/4885HRH2 4410/4885HRH1 4034/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 ELANE 397/4885HRH2 4465/4885HRH1 4019/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 ELANE 397/4885HRH2 4465/4885HRH1 4019/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 ELANE 397/4885HRH2 4465/4885HRH1 4019/4885

“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.