SCHEMBL2264825

SCHEMBL2264825

[2H]C([2H])([2H])N(C(=O)OC(C)(C)C)C(C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL2264821 1.00 MEN1 (0.31) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL13006285 0.89 MEN1 (0.31) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL342693 0.86 AAK1 (0.33) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL342692 0.86 AAK1 (0.33) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL357909 0.86 AAK1 (0.33) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL18419552 0.84
SCHEMBL31036506 0.78 AAK1 (0.40) MEN1GAAKMT2A
SCHEMBL30414719 0.78 FAAH (0.31)
SCHEMBL30414771 0.78 FAAH (0.31)
SCHEMBL30414734 0.78 FAAH (0.31)

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
EP-2819996-B1 6-ALKYNYL PYRIDINES AS SMAC MIMETICS BOEHRINGER INGELHEIM INT (DE) 2017-01-04 EP disclosed
EP-2819996-A1 6 - ALKYNYL PYRIDINES AS SMAC MIMETICS Boehringer Ingelheim International GmbH (DE) 2015-01-07 EP disclosed
US-8859541-B2 6-alkynylpyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
WO-2013127729-A1 6 - ALKYNYL PYRIDINES AS SMAC MIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-06 WO disclosed
US-20130225567-A1 5-Alkynyl Pyridine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 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 (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-20130225567-A1 5-Alkynyl Pyridine MKI67, API5, SMARCC1 MEN1 1394/4885GAA 609/4885KMT2A 2164/4885
US-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 MEN1 863/4885GAA 1977/4885KMT2A 3756/4885

“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.