SCHEMBL2087402

SCHEMBL2087402

CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)O)c(NCCOC)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
ALOX15 P16050 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LTB4R Q15722 1/20 0.34
HPGD P15428 1/20 0.34
CNR2 P34972 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
EPHX2 P34913 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL2084264 0.84 DRD2 (0.41) PTGS2LTB4RCNR2DRD2ADRA1A
SCHEMBL2085778 0.84 NPC1 (0.39) PTGS2ALOX15ALDH1A1HPGDEPHX2
SCHEMBL2084806 0.83 LTB4R (0.36) PTGS2ALDH1A1LTB4RHPGDCNR2
SCHEMBL2084070 0.82 FFAR1 (0.40) PTGS2EPHX2
SCHEMBL2085380 0.82 ALDH1A1 (0.41) ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL2083094 0.80 HPGD (0.47) HPGD
SCHEMBL2086384 0.80 EPHX2 (0.37) PTGS2ALOX15ALDH1A1HPGDEPHX2
SCHEMBL2083468 0.80 HPGD (0.46) PTGS2HPGDEPHX2
SCHEMBL2083239 0.80 HPGD (0.46) PTGS2HPGDEPHX2
SCHEMBL2085132 0.80 HPGD (0.46) PTGS2HPGDEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US claimed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP claimed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US claimed
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD PTGS2 625/4885ALOX15 227/4885ALDH1A1 715/4885

“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.