SCHEMBL13006285

SCHEMBL13006285

[2H]CN(C(=O)OC(C)(C)C)[C@@H](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
SCHEMBL2264825 0.89 MEN1 (0.31) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL2264821 0.89 MEN1 (0.31) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL342693 0.86 AAK1 (0.33) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL357909 0.86 AAK1 (0.33) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL342692 0.86 AAK1 (0.33) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL18419552 0.84
SCHEMBL31191282 0.78 AAK1 (0.40) MEN1GAAKMT2A
SCHEMBL28941238 0.76 MEN1 (0.34) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL11106058 0.76 MEN1 (0.34) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL29463474 0.76 MEN1 (0.34) MEN1GAAKMT2AHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012564-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-01-10 US disclosed
US-8283372-B2 2-(1H-indol-3-ylmethyl)-pyrrolidine dimer as a SMAC mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-10-09 US disclosed
US-20120115922-A1 SMAC MIMETEC MEDIVIR AB (SE) 2012-05-10 US disclosed
US-20110003877-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-01-06 US disclosed
US-20100317593-A1 2,3-DIHYDRO-1H-INDENE COMPOUNDS ASTRAZENECA AB (SE) 2010-12-16 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-20130012564-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 MEN1 1204/4885GAA 1291/4885KMT2A 2665/4885
US-20110003877-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 MEN1 1204/4885GAA 1291/4885KMT2A 2665/4885
US-20100317593-A1 2,3-DIHYDRO-1H-INDENE COMPOUNDS BIRC2, BIRC5, BIRC8 MEN1 2188/4885GAA 1788/4885KMT2A 3947/4885
US-20120115922-A1 SMAC MIMETEC SMARCC1, SMARCC2, SMARCE1 MEN1 296/4885GAA 741/4885KMT2A 2596/4885

“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.