SCHEMBL5116901

SCHEMBL5116901

CCCCCN1C(=O)C(=NNC(=O)N2CCOCC2)c2cc(SCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.38
THRA P10827 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PARK7 Q99497 1/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSK P43235 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSS P25774 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
BCL2A1 Q16548 1/20 0.33
CNR2 P34972 1/20 0.33
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5116900 1.00 THRB (0.38) THRBTHRAALDH1A1PARK7CTSL
SCHEMBL5113816 0.99 THRB (0.39) THRBTHRAALDH1A1PARK7KDM4E
SCHEMBL5113812 0.99 THRB (0.39) THRBTHRAALDH1A1PARK7KDM4E
SCHEMBL5118475 0.99 THRB (0.39) THRBTHRAALDH1A1PARK7KDM4E
SCHEMBL5118477 0.99 THRB (0.39) THRBTHRAALDH1A1PARK7KDM4E
SCHEMBL5117177 0.98 ALDH1A1 (0.38) THRBTHRAALDH1A1PARK7CTSL
SCHEMBL5117181 0.98 ALDH1A1 (0.38) THRBTHRAALDH1A1PARK7CTSL
SCHEMBL5114724 0.96 THRB (0.39) THRBTHRAALDH1A1PARK7HDAC10
SCHEMBL5114722 0.96 THRB (0.39) THRBTHRAALDH1A1PARK7HDAC10
SCHEMBL5118361 0.96 THRB (0.40) THRBTHRAALDH1A1KDM4EHPGD

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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US claimed
EP-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 EP claimed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 WO claimed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US disclosed
EP-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 EP disclosed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA THRB 491/4885THRA 559/4885ALDH1A1 420/4885

“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.