SCHEMBL2216638

SCHEMBL2216638

O=Cc1ccc(-c2cccc(CNC(=O)O)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.49
AOC3 Q16853 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
WNT3A P56704 3/20 0.41
ERN1 O75460 1/20 0.40
SRC P12931 1/20 0.40
CFD P00746 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3693496 0.83 HPGDS (0.50) HPGDSAOC3CYP1A2CYP2D6CYP2C9
SCHEMBL2174522 0.82 AOC3 (0.55) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL22501619 0.79 FFAR1 (0.53) HPGDSAOC3CYP1A2CYP2D6CYP2C9
SCHEMBL16396467 0.78 AOC3 (0.44) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL209625 0.77 CYP2D6 (0.54) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL22501673 0.76 PIM2 (0.52) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL16965183 0.75 SYK (0.45) HPGDSAOC3CYP1A2CYP2D6CYP2C9
SCHEMBL1749307 0.75 MEN1 (0.42) HPGDSAOC3TSHRWNT3A
SCHEMBL28440723 0.75 HSD17B1 (0.63) CYP2C9
SCHEMBL21904823 0.74 AOC3 (0.46) HPGDSAOC3CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP disclosed
US-7625914-B2 Compounds that modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-01 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO disclosed
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-07-06 US disclosed
EP-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP disclosed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 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 (2 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-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA HPGDS 904/4885AOC3 2759/4885CYP1A2 126/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA HPGDS 360/4885AOC3 2847/4885CYP1A2 382/4885

“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.