SCHEMBL5113914

SCHEMBL5113914

O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccc(SCCc3ccc(C(=O)O)cc3)cc21)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.44
CA2 P00918 9/20 0.44
CA12 O43570 7/20 0.44
CA9 Q16790 7/20 0.44
MCL1 Q07820 2/20 0.40
BCL2A1 Q16548 2/20 0.40
CDK8 P49336 1/20 0.40
PARK7 Q99497 1/20 0.39
MAPT P10636 2/20 0.39
CA4 P22748 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
CA7 P43166 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL14287333 1.00 CA1 (0.44) CA1CA2CA12CA9MCL1
SCHEMBL5113905 1.00 CA1 (0.44) CA1CA2CA12CA9MCL1
SCHEMBL5111211 0.93 PARK7 (0.48) CA1CA2CA12CA9MCL1
SCHEMBL5111207 0.93 PARK7 (0.48) CA1CA2CA12CA9MCL1
SCHEMBL14287374 0.91 PARK7 (0.41) CA1CA2CA12CA9MCL1
SCHEMBL5118310 0.91 PARK7 (0.41) CA1CA2CA12CA9MCL1
SCHEMBL5113251 0.91 PARK7 (0.41) CA1CA2CA12CA9MCL1
SCHEMBL5111370 0.90 PARK7 (0.40) CA1CA2CA12CA9MCL1
SCHEMBL14287334 0.90 PARK7 (0.40) CA1CA2CA12CA9MCL1
SCHEMBL5111360 0.90 PARK7 (0.40) CA1CA2CA12CA9MCL1

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 CA1 4882/4885CA2 4535/4885CA12 4873/4885

“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.