SCHEMBL1997611

SCHEMBL1997611

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 6/20 0.57
METAP2 P50579 1/20 0.44
RIPK1 Q13546 1/20 0.42
ACE P12821 4/20 0.40
MME P08473 3/20 0.40
SCN9A Q15858 2/20 0.38
XIAP P98170 1/20 0.38
SRC P12931 3/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 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
SCHEMBL1993834 1.00 METAP1 (0.57) METAP1METAP2RIPK1ACEMME
SCHEMBL1993833 1.00 METAP1 (0.57) METAP1METAP2RIPK1ACEMME
SCHEMBL12625243 0.88 METAP1 (0.44) METAP1METAP2RIPK1ACEMME
SCHEMBL1997944 0.88 METAP1 (0.44) METAP1METAP2RIPK1ACEMME
SCHEMBL1997942 0.88 METAP1 (0.44) METAP1METAP2RIPK1ACEMME
SCHEMBL12569138 0.88 RIPK1 (0.44) METAP1RIPK1ACEMMESCN9A
SCHEMBL1997047 0.88 RIPK1 (0.44) METAP1RIPK1ACEMMESCN9A
SCHEMBL1997050 0.88 RIPK1 (0.44) METAP1RIPK1ACEMMESCN9A
SCHEMBL4508566 0.88 METAP1 (0.53) METAP1METAP2ACEMMEXIAP
SCHEMBL4508570 0.88 METAP1 (0.53) METAP1METAP2ACEMMEXIAP

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 6 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-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

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 3151/4885METAP2 1946/4885RIPK1 4672/4885

“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.