SCHEMBL1999221

SCHEMBL1999221

CC(C)(C)OC(=O)NC(CSc1ccc(Cl)cc1N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.55
PPARG P37231 10/20 0.55
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
PPARD Q03181 2/20 0.47
CTSL P07711 1/20 0.44
ACE P12821 1/20 0.43
GSTP1 P09211 1/20 0.42
GSTM2 P28161 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5969493 0.88 PPARA (0.53) PPARAPPARGALDH1A1MAPTKDM4E
SCHEMBL5729755 0.88 PPARA (0.53) PPARAPPARGALDH1A1MAPTKDM4E
SCHEMBL5729613 0.88 PPARA (0.53) PPARAPPARGALDH1A1MAPTKDM4E
SCHEMBL5969087 0.87 AAK1 (0.52) PPARAPPARGALDH1A1MAPTPPARD
SCHEMBL5729717 0.87 AAK1 (0.52) PPARAPPARGALDH1A1MAPTPPARD
SCHEMBL5728994 0.87 AAK1 (0.52) PPARAPPARGALDH1A1MAPTPPARD
SCHEMBL28630326 0.86 PPARA (0.51) PPARAPPARGALDH1A1MAPTKDM4E
SCHEMBL20280001 0.86 PPARA (0.51) PPARAPPARGALDH1A1MAPTKDM4E
SCHEMBL7427614 0.85 PPARA (0.59) PPARAPPARGPPARDCTSLACE
SCHEMBL15956610 0.85 PPARA (0.59) PPARAPPARGPPARDCTSLACE

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 2 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
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 PPARA 857/4885PPARG 976/4885ALDH1A1 297/4885

“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.