SCHEMBL2280741

SCHEMBL2280741

CO[C@@H](C(=O)NC1CCc2ccccc2N(Cc2cc(F)cc(F)c2)C1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.54
XIAP P98170 17/20 0.51
NPY1R P25929 2/20 0.49

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
SCHEMBL1998088 0.87 METAP1 (0.50) METAP1XIAPNPY1R
SCHEMBL12569069 0.87 METAP1 (0.50) METAP1XIAPNPY1R
SCHEMBL12569070 0.87 METAP1 (0.50) METAP1XIAPNPY1R
SCHEMBL1998951 0.87 METAP1 (0.49) METAP1XIAP
SCHEMBL2233896 0.87 METAP1 (0.49) METAP1XIAPNPY1R
SCHEMBL12345878 0.87 METAP1 (0.49) METAP1XIAPNPY1R
SCHEMBL1998952 0.87 METAP1 (0.49) METAP1XIAP
SCHEMBL2233891 0.87 METAP1 (0.49) METAP1XIAPNPY1R
SCHEMBL4484884 0.87 METAP1 (0.49) METAP1XIAP
SCHEMBL4484881 0.87 METAP1 (0.49) METAP1XIAP

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-20090099152-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-04-16 US claimed
US-7994162-B2 2-alkoxy-3,4,5-trihydroxy-alkylamide-benzazepines, the preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed
US-7994162-B2 2-alkoxy-3,4,5-trihydroxy-alkylamide-benzazepines, the preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed
US-7994162-B2 2-alkoxy-3,4,5-trihydroxy-alkylamide-benzazepines, the preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed
US-20090099152-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-04-16 US disclosed
US-20090099152-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-04-16 US disclosed
US-20090099152-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-04-16 US disclosed
WO-2007135293-A2 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE 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-20090099152-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME GABRA5, GABRA2, GABRA3 METAP1 4009/4885XIAP 4788/4885NPY1R 1000/4885

“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.