SCHEMBL2287544

SCHEMBL2287544

CO[C@@H](C(=O)N[C@H]1CCc2cc(-c3ccccc3)ccc2NC1=O)[C@H](O)[C@@H](O)[C@H](O)C=CC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.45
METAP2 P50579 3/20 0.41
RIPK1 Q13546 10/20 0.37
PYGL P06737 4/20 0.36
PYGM P11217 4/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL2287539 1.00 METAP1 (0.45) METAP1METAP2RIPK1PYGLPYGM
SCHEMBL2281035 0.89 METAP1 (0.56) METAP1METAP2RIPK1PYGLPYGM
SCHEMBL2286193 0.89 METAP1 (0.56) METAP1METAP2RIPK1PYGLPYGM
SCHEMBL12376335 0.89 METAP1 (0.56) METAP1METAP2RIPK1PYGLPYGM
SCHEMBL2286197 0.89 METAP1 (0.56) METAP1METAP2RIPK1PYGLPYGM
SCHEMBL2281031 0.89 METAP1 (0.56) METAP1METAP2RIPK1PYGLPYGM
SCHEMBL12345895 0.79 METAP1 (0.41) METAP1METAP2RIPK1
SCHEMBL2235045 0.79 METAP1 (0.41) METAP1METAP2RIPK1
SCHEMBL2235041 0.79 METAP1 (0.41) METAP1METAP2RIPK1
SCHEMBL13818349 0.78 METAP1 (0.65) METAP1METAP2RIPK1PYGLPYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 4009/4885METAP2 2493/4885RIPK1 4813/4885

“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.