SCHEMBL1997073

SCHEMBL1997073

CC(C)(C)OC(=O)N[C@@H](CSc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.48
PPARA Q07869 8/20 0.48
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
PPARD Q03181 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
ALOX12 P18054 1/20 0.40
BCL2 P10415 4/20 0.39
MCL1 Q07820 1/20 0.39
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38

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
SCHEMBL1999787 0.85 PPARA (0.50) PPARGPPARAALDH1A1MAPTPPARD
SCHEMBL15564842 0.79 PPARA (0.55) PPARGPPARAGSTP1GSTM2PPARD
SCHEMBL15564841 0.79 PPARA (0.55) PPARGPPARAGSTP1GSTM2PPARD
SCHEMBL1999989 0.79 GSTP1 (0.55) PPARGPPARAGSTP1GSTM2ALDH1A1
SCHEMBL7977007 0.77 GSTP1 (0.56) PPARGPPARAGSTP1GSTM2ALDH1A1
SCHEMBL15956153 0.77 GSTP1 (0.56) PPARGPPARAGSTP1GSTM2ALDH1A1
SCHEMBL20280002 0.76 GSTP1 (0.49) PPARGPPARAGSTP1GSTM2ALDH1A1
SCHEMBL27129942 0.76 GSTP1 (0.49) PPARGPPARAGSTP1GSTM2ALDH1A1
SCHEMBL26962061 0.76 PPARA (0.45) PPARGPPARAGSTP1GSTM2ALDH1A1
SCHEMBL15964622 0.74 PPARA (0.47) PPARGPPARAALDH1A1MAPTPKM

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 PPARG 976/4885PPARA 857/4885GSTP1 1330/4885

“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.