SCHEMBL1999224

SCHEMBL1999224

CC(C)(C)C(=O)ON[C@@H](CSc1c(N)cccc1-c1ccccc1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.34
▸ PPARG P37231 3/20 0.34
▸ PPARA Q07869 3/20 0.34
▸ PPARD Q03181 2/20 0.33
▸ PDCD1 Q15116 4/20 0.32
▸ CD274 Q9NZQ7 4/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ ACE P12821 2/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ KCNQ2 O43526 1/20 0.31
▸ KIF11 P52732 1/20 0.31

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
SCHEMBL2001885 0.88 PTGDR2 (0.38) PDCD1CD274
SCHEMBL1999450 0.84 ALDH1A1 (0.39) NPSR1PPARGPPARAPDCD1CD274
SCHEMBL12569145 0.81 ALDH1A1 (0.38) NPSR1PDCD1CD274L3MBTL1KMT2A
SCHEMBL1997049 0.75 ITGB2 (0.34) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL1993187 0.74 MTNR1A (0.34) PPARGPPARAALDH1A1KDM4EMAPT
SCHEMBL1995752 0.74 PDCD1 (0.40) PDCD1CD274
SCHEMBL15564586 0.70 PPARA (0.56) PPARGPPARAPPARDACE
SCHEMBL15564582 0.70 PPARA (0.56) PPARGPPARAPPARDACE
SCHEMBL12569158 0.69 PTGDR2 (0.39) L3MBTL1HSD17B10
SCHEMBL1994816 0.68 ALDH1A1 (0.36) PPARGPPARAPPARDKMT2AALDH1A1

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 3 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

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 NPSR1 640/4885PPARG 976/4885PPARA 857/4885

“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.

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