SCHEMBL1993187

SCHEMBL1993187

COc1cccc(SC[C@H](NOC(=O)C(C)(C)C)C(=O)O)c1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ ACE P12821 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KIF11 P52732 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 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
SCHEMBL1997049 0.86 ITGB2 (0.34) PPARGPPARAACEGAAPOLB
SCHEMBL3157893 0.85 HPGD (0.36) MTNR1AMTNR1BPPARGPPARAACE
SCHEMBL12569196 0.83 MTNR1A (0.39) MTNR1AMTNR1BITGAVGAAPOLB
SCHEMBL1994816 0.74 ALDH1A1 (0.36) PPARGPPARAACEGAAPOLB
SCHEMBL1999224 0.74 NPSR1 (0.34) PPARGPPARAACEALDH1A1KDM4E
SCHEMBL12569229 0.70 ACE (0.39) ACEGAAPOLBKDM4EMAPT
SCHEMBL12569192 0.68 HPGD (0.42) MTNR1AMTNR1BPOLBALDH1A1KDM4E
SCHEMBL2001885 0.68 PTGDR2 (0.38) —
SCHEMBL1999450 0.67 ALDH1A1 (0.39) PPARGPPARAGAAALDH1A1KDM4E
SCHEMBL22687324 0.66 PPARA (0.51) PPARGPPARAITGAVACEITGB1

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 MTNR1A 831/4885MTNR1B 435/4885PPARG 976/4885

“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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