SCHEMBL1998442

SCHEMBL1998442

CO[C@@H](C(=O)N[C@H]1CSc2ccccc2N(C)C1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.40
METAP1 P53582 2/20 0.40
ACE P12821 4/20 0.38
MME P08473 3/20 0.38
XIAP P98170 1/20 0.36
SCN9A Q15858 7/20 0.36
PYGL P06737 1/20 0.32
PYGM P11217 1/20 0.32

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
SCHEMBL1998445 1.00 RIPK1 (0.40) RIPK1METAP1ACEMMEXIAP
SCHEMBL12569127 1.00 RIPK1 (0.40) RIPK1METAP1ACEMMEXIAP
SCHEMBL2001076 0.89 RIPK1 (0.40) RIPK1METAP1ACEMMEXIAP
SCHEMBL2001079 0.89 RIPK1 (0.40) RIPK1METAP1ACEMMEXIAP
SCHEMBL12569134 0.89 RIPK1 (0.40) RIPK1METAP1ACEMMEXIAP
SCHEMBL12569138 0.88 RIPK1 (0.44) RIPK1METAP1ACEMMEXIAP
SCHEMBL1997047 0.88 RIPK1 (0.44) RIPK1METAP1ACEMMEXIAP
SCHEMBL1997050 0.88 RIPK1 (0.44) RIPK1METAP1ACEMMEXIAP
SCHEMBL1997611 0.85 METAP1 (0.57) RIPK1METAP1ACEMMEXIAP
SCHEMBL1993833 0.85 METAP1 (0.57) RIPK1METAP1ACEMMEXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960373-B2 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof SANOFI-AVENTIS (FR) 2011-06-14 US claimed
EP-2029596-B1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI AVENTIS (FR) 2010-02-24 EP claimed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 US claimed
US-7960373-B2 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof SANOFI-AVENTIS (FR) 2011-06-14 US disclosed
US-7960373-B2 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof SANOFI-AVENTIS (FR) 2011-06-14 US disclosed
US-7960373-B2 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof SANOFI-AVENTIS (FR) 2011-06-14 US disclosed
EP-2029596-B1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI AVENTIS (FR) 2010-02-24 EP disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
WO-2007135294-A2 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, 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-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF TPH2, CYP4B1, HTR3C RIPK1 4672/4885METAP1 3151/4885ACE 530/4885

“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.