SCHEMBL2236932

SCHEMBL2236932

CO[C@@H](C(=O)N[C@H]1CN(C)c2ccccc2NC1=O)[C@H](O)[C@@H](O)[C@H](O)C=CC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 8/20 0.57
METAP2 P50579 3/20 0.47
SCN9A Q15858 2/20 0.34
XIAP P98170 2/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL12345846 1.00 METAP1 (0.57) METAP1METAP2SCN9AXIAPDDB1
SCHEMBL2236923 1.00 METAP1 (0.57) METAP1METAP2SCN9AXIAPDDB1
SCHEMBL2236914 1.00 METAP1 (0.57) METAP1METAP2SCN9AXIAPDDB1
SCHEMBL2234708 0.87 METAP1 (0.52) METAP1METAP2SCN9AXIAP
SCHEMBL2234699 0.87 METAP1 (0.52) METAP1METAP2SCN9AXIAP
SCHEMBL12345854 0.87 METAP1 (0.52) METAP1METAP2SCN9AXIAP
SCHEMBL2236764 0.85 METAP1 (0.60) METAP1METAP2SCN9AXIAP
SCHEMBL12345860 0.85 METAP1 (0.60) METAP1METAP2SCN9AXIAP
SCHEMBL2236780 0.85 METAP1 (0.60) METAP1METAP2SCN9AXIAP
SCHEMBL4497926 0.84 METAP1 (0.69) METAP1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994161-B2 Derivatives of 2-alkoxy-3,4,5-trihydroxy-alkyl amides, preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US claimed
US-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 US claimed
US-7994161-B2 Derivatives of 2-alkoxy-3,4,5-trihydroxy-alkyl amides, preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed
US-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
EP-2029555-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2009-03-04 EP disclosed
WO-2007135295-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 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-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME CYP4B1, AADAC, ALKBH3 METAP1 2962/4885METAP2 1628/4885SCN9A 3603/4885

“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.