SCHEMBL632879

SCHEMBL632879

CC(C)(C)OC(=O)NC1CN(C[C@@H]2CNC(=O)O2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.41
CTSK P43235 2/20 0.38
DRD2 P14416 3/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL632880 1.00 GAA (0.42) GAAEPHX2CTSKDRD2NFKB1
SCHEMBL591272 0.76 GAA (0.40) GAAKMT2AL3MBTL1
SCHEMBL21051253 0.76 GAA (0.40) GAAKMT2AL3MBTL1
SCHEMBL591271 0.76 GAA (0.40) GAAKMT2AL3MBTL1
SCHEMBL16469442 0.76 DDB1 (0.42) L3MBTL1
SCHEMBL23857736 0.74 TDP1 (0.43) GAAKMT2A
SCHEMBL23857701 0.73 GAA (0.46) GAAEPHX2CTSKNFKB1NFKB2
SCHEMBL23857700 0.73 GAA (0.46) GAAEPHX2CTSKNFKB1NFKB2
SCHEMBL30929646 0.72 USP2 (0.40) KMT2A
SCHEMBL17970109 0.72 CTSK (0.50) GAAEPHX2CTSKDRD2NFKB1

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-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US disclosed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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 (1 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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 GAA 4344/4885EPHX2 2818/4885CTSK 4365/4885

“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.