SCHEMBL1999450

SCHEMBL1999450

CC(C)(C)C(=O)ON[C@@H](CSc1c(-c2ccccc2)cccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PDCD1 Q15116 6/20 0.39
▸ CD274 Q9NZQ7 6/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ GAA P10253 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
SCHEMBL1995752 0.88 PDCD1 (0.40) PDCD1CD274ADAMTS4
SCHEMBL1999224 0.84 NPSR1 (0.34) ALDH1A1PDCD1CD274NPSR1MAPT
SCHEMBL12569143 0.84 ALDH1A1 (0.46) ALDH1A1TDP1PDCD1CD274ADAMTS4
SCHEMBL3157893 0.74 HPGD (0.36) ALDH1A1TDP1MAPTKDM4EHTT
SCHEMBL1994816 0.74 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EKMT2APPARG
SCHEMBL2001815 0.73 MAPT (0.35) ALDH1A1TDP1NPSR1MAPTKDM4E
SCHEMBL15564842 0.73 PPARA (0.55) PPARGPPARA
SCHEMBL15564841 0.73 PPARA (0.55) PPARGPPARA
SCHEMBL2001885 0.73 PTGDR2 (0.38) PDCD1CD274ADAMTS4
SCHEMBL12569156 0.72 PDCD1 (0.42) ALDH1A1PDCD1CD274ADAMTS4MAPT

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 ALDH1A1 297/4885TDP1 2246/4885PDCD1 4839/4885

“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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