SCHEMBL1997049

SCHEMBL1997049

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 0.34
▸ ICAM1 P05362 2/20 0.34
▸ ITGAL P20701 2/20 0.34
▸ KIF11 P52732 1/20 0.32
▸ PPARG P37231 4/20 0.32
▸ PPARA Q07869 4/20 0.32
▸ PPARD Q03181 2/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ACE P12821 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ALB P02768 1/20 0.30
▸ IL2 P60568 1/20 0.30

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 0.86 MTNR1A (0.34) KIF11PPARGPPARAPOLBACE
SCHEMBL1994816 0.84 ALDH1A1 (0.36) ITGB2ICAM1ITGALPPARGPPARA
SCHEMBL1999992 0.83 ACE (0.36) PPARGPPARAPOLBACEALDH1A1
SCHEMBL12569180 0.81 ITGB2 (0.40) ITGB2ICAM1ITGALPOLBALDH1A1
SCHEMBL3157893 0.75 HPGD (0.36) PPARGPPARAPOLBACEALDH1A1
SCHEMBL1999224 0.75 NPSR1 (0.34) KIF11PPARGPPARAPPARDACE
SCHEMBL2001815 0.72 MAPT (0.35) PPARGPPARAPOLBACEALDH1A1
SCHEMBL2001885 0.68 PTGDR2 (0.38) —
SCHEMBL1999450 0.68 ALDH1A1 (0.39) PPARGPPARAALDH1A1KDM4EGAA
SCHEMBL12569196 0.67 MTNR1A (0.39) POLBALDH1A1KDM4EGLAGAA

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 ITGB2 3994/4885ICAM1 4412/4885ITGAL 4286/4885

“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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