SCHEMBL1999989

SCHEMBL1999989

CC(C)(C)OC(=O)NC(CSc1cc(Cl)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.55
GSTM2 P28161 2/20 0.55
PPARG P37231 9/20 0.52
PPARA Q07869 9/20 0.52
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
PPARD Q03181 2/20 0.44
BCL2 P10415 3/20 0.42
CTSL P07711 1/20 0.41
PDE7A Q13946 1/20 0.41
MCL1 Q07820 1/20 0.40
ACE P12821 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
SCHEMBL15956153 0.85 GSTP1 (0.56) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL7977007 0.85 GSTP1 (0.56) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL12569093 0.82 PDE7A (0.46) ALDH1A1MAPTKDM4EHPGDPDE7A
SCHEMBL20280002 0.82 GSTP1 (0.49) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL27129942 0.82 GSTP1 (0.49) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL29500880 0.82 PPARG (0.47) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL28991675 0.81 GSTP1 (0.52) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL28991676 0.81 GSTP1 (0.52) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL30317995 0.81 GSTP1 (0.52) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL1999221 0.81 PPARA (0.55) GSTP1GSTM2PPARGPPARAALDH1A1

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 GSTP1 1330/4885GSTM2 1655/4885PPARG 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.