SCHEMBL2236381

SCHEMBL2236381

CC(C)(C)OC(=O)N[C@@H](COc1c(-c2ccccc2)cccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.47
PPARG P37231 5/20 0.46
PTPN1 P18031 1/20 0.44
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ACE P12821 1/20 0.42
BCL2 P10415 2/20 0.42
MCL1 Q07820 1/20 0.42
PPARD Q03181 2/20 0.41
IDO1 P14902 1/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
CTSB P07858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 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
SCHEMBL15564467 0.88 PPARA (0.47) PPARAPPARGACEBCL2MCL1
SCHEMBL15564469 0.88 PPARA (0.47) PPARAPPARGACEBCL2MCL1
SCHEMBL27215426 0.87 PPARA (0.46) PPARAPPARGACEBCL2MCL1
SCHEMBL15565704 0.87 PPARA (0.46) PPARAPPARGACEBCL2MCL1
SCHEMBL19224523 0.87 PPARA (0.46) PPARAPPARGACEBCL2MCL1
SCHEMBL1562720 0.87 PPARA (0.46) PPARAPPARGPTPN1ACEBCL2
SCHEMBL1562724 0.87 PPARA (0.46) PPARAPPARGPTPN1ACEBCL2
SCHEMBL2234976 0.87 PPARA (0.46) PPARAPPARGACEBCL2MCL1
SCHEMBL15565625 0.86 ALDH1A1 (0.52) PPARAPPARGACEBCL2MCL1
SCHEMBL29467176 0.86 ALDH1A1 (0.52) PPARAPPARGACEBCL2MCL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994161-B2 Derivatives of 2-alkoxy-3,4,5-trihydroxy-alkyl amides, preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed
US-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
EP-2029555-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2009-03-04 EP disclosed
WO-2007135295-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 WO 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-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME CYP4B1, AADAC, ALKBH3 PPARA 366/4885PPARG 467/4885PTPN1 3302/4885

“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.