SCHEMBL2234384

SCHEMBL2234384

CO[C@@H](C(=O)N[C@H]1COc2cccc(-c3ccccc3)c2NC1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.41
METAP2 P50579 3/20 0.38
RIPK1 Q13546 9/20 0.34
RIPK3 Q9Y572 1/20 0.33
NOTCH1 P46531 3/20 0.32
NOTCH3 Q9UM47 2/20 0.32
RBPJ Q06330 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
SCHEMBL2234392 1.00 METAP1 (0.41) METAP1METAP2RIPK1RIPK3NOTCH1
SCHEMBL12345903 1.00 METAP1 (0.41) METAP1METAP2RIPK1RIPK3NOTCH1
SCHEMBL2235045 0.88 METAP1 (0.41) METAP1METAP2RIPK1
SCHEMBL2235041 0.88 METAP1 (0.41) METAP1METAP2RIPK1
SCHEMBL12345895 0.88 METAP1 (0.41) METAP1METAP2RIPK1
SCHEMBL2236104 0.78 RIPK1 (0.42) METAP1METAP2RIPK1
SCHEMBL12345931 0.78 RIPK1 (0.42) METAP1METAP2RIPK1
SCHEMBL2236117 0.78 RIPK1 (0.42) METAP1METAP2RIPK1
SCHEMBL2236925 0.78 RIPK1 (0.48) METAP1RIPK1
SCHEMBL2236945 0.78 RIPK1 (0.48) METAP1RIPK1

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 8 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-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
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
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
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 1628/4885RIPK1 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.