SCHEMBL2238145

SCHEMBL2238145

CO[C@@H](C(=O)NC1CNc2ccccc2NC1=O)[C@H](O)[C@@H](O)[C@H](O)C=CC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 8/20 0.61
METAP2 P50579 3/20 0.54
RIPK1 Q13546 2/20 0.38
EPHX2 P34913 1/20 0.34
SCN9A Q15858 1/20 0.33
CTSL P07711 1/20 0.32
CRBN Q96SW2 2/20 0.32
DDB1 Q16531 1/20 0.32
NAAA Q02083 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL2238129 1.00 METAP1 (0.61) METAP1METAP2RIPK1EPHX2SCN9A
SCHEMBL2238149 1.00 METAP1 (0.61) METAP1METAP2RIPK1EPHX2SCN9A
SCHEMBL12345836 1.00 METAP1 (0.61) METAP1METAP2RIPK1EPHX2SCN9A
SCHEMBL4497937 0.87 METAP1 (0.69) METAP1METAP2EPHX2
SCHEMBL4497926 0.87 METAP1 (0.69) METAP1METAP2EPHX2
SCHEMBL4491725 0.86 METAP1 (0.65) METAP1METAP2RIPK1
SCHEMBL13818427 0.86 METAP1 (0.65) METAP1METAP2RIPK1
SCHEMBL4491714 0.86 METAP1 (0.65) METAP1METAP2RIPK1
SCHEMBL13818349 0.86 METAP1 (0.65) METAP1METAP2RIPK1
SCHEMBL4494574 0.84 METAP1 (0.58) METAP1METAP2CRBNDDB1

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 4 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

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 1628/4885RIPK1 4874/4885

“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.