SCHEMBL1999992

SCHEMBL1999992

CC(C)(C)C(=O)ON[C@@H](CSc1cccc(Oc2ccccc2)c1N)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MME P08473 1/20 0.35
▸ CPA1 P15085 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ ICMT O60725 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ GRN P28799 2/20 0.33
▸ SORT1 Q99523 2/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ SLC1A5 Q15758 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RIPK1 Q13546 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
SCHEMBL1993187 0.89 MTNR1A (0.34) ACEPOLBGAAPPARGPPARA
SCHEMBL2001815 0.85 MAPT (0.35) ACEL3MBTL1NPSR1MMECPA1
SCHEMBL12569229 0.84 ACE (0.39) ACEL3MBTL1NPSR1MMECPA1
SCHEMBL1997049 0.83 ITGB2 (0.34) ACEPOLBGAAPPARGPPARA
SCHEMBL3157893 0.76 HPGD (0.36) ACEL3MBTL1POLBPPARGPPARA
SCHEMBL1999224 0.74 NPSR1 (0.34) ACEL3MBTL1NPSR1PPARGPPARA
SCHEMBL1994816 0.72 ALDH1A1 (0.36) ACEPOLBGAAPPARGPPARA
SCHEMBL12569196 0.71 MTNR1A (0.39) POLBGAAALDH1A1
SCHEMBL12569236 0.69 MAPT (0.38) ACENPSR1MMECPA1ACE2
SCHEMBL1999450 0.67 ALDH1A1 (0.39) NPSR1GAAPPARGPPARAALDH1A1

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 ACE 530/4885L3MBTL1 4578/4885NPSR1 640/4885

“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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