SCHEMBL1998952

SCHEMBL1998952

CO[C@@H](C(=O)N[C@H]1CSc2ccccc2N(Cc2cc(F)cc(F)c2)C1=O)[C@H](O)[C@@H](O)[C@H](O)C=CC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.49
XIAP P98170 2/20 0.48
ACE P12821 4/20 0.42
MME P08473 3/20 0.42
METAP2 P50579 1/20 0.39
SRC P12931 3/20 0.37
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL1998951 1.00 METAP1 (0.49) METAP1XIAPACEMMEMETAP2
SCHEMBL4484884 1.00 METAP1 (0.49) METAP1XIAPACEMMEMETAP2
SCHEMBL4484881 1.00 METAP1 (0.49) METAP1XIAPACEMMEMETAP2
SCHEMBL12569301 0.96 METAP1 (0.46) METAP1XIAPACEMMEMETAP2
SCHEMBL13818348 0.96 METAP1 (0.46) METAP1XIAPACEMMEMETAP2
SCHEMBL14387579 0.92 XIAP (0.53) METAP1XIAPACEMMEMETAP2
SCHEMBL2000131 0.92 XIAP (0.53) METAP1XIAPACEMMEMETAP2
SCHEMBL2000132 0.92 XIAP (0.53) METAP1XIAPACEMMEMETAP2
SCHEMBL2280741 0.87 METAP1 (0.54) METAP1XIAP
SCHEMBL4508566 0.86 METAP1 (0.53) METAP1XIAPACEMMEMETAP2

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 5 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 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
EP-2029596-A2 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2009-03-04 EP 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 METAP1 3151/4885XIAP 4211/4885ACE 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.