SCHEMBL5113607

SCHEMBL5113607

O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(SCCc3ccc(C(=O)O)cc3)cc21)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.40
MCL1 Q07820 3/20 0.39
BCL2A1 Q16548 3/20 0.39
ACHE P22303 1/20 0.38
CA9 Q16790 2/20 0.38
CA2 P00918 1/20 0.38
NLRP3 Q96P20 1/20 0.36
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
BID P55957 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL5113604 1.00 PARK7 (0.40) PARK7MCL1BCL2A1ACHECA9
SCHEMBL14287348 0.94 PLK1 (0.37) PARK7MCL1BCL2A1ACHECA9
SCHEMBL5123434 0.93 MRGPRX4 (0.36) PARK7MCL1BCL2A1ACHECA9
SCHEMBL14287341 0.93 MRGPRX4 (0.36) PARK7MCL1BCL2A1ACHECA9
SCHEMBL5123438 0.93 MRGPRX4 (0.36) PARK7MCL1BCL2A1ACHECA9
SCHEMBL5332777 0.93 MCL1 (0.36) PARK7MCL1BCL2A1ACHECA9
SCHEMBL5332766 0.93 MCL1 (0.36) PARK7MCL1BCL2A1ACHECA9
SCHEMBL14287352 0.90 PLK1 (0.40) MCL1BCL2A1ACHECA9CA2
SCHEMBL5110708 0.90 PARK7 (0.44) PARK7MCL1BCL2A1CA9CA2
SCHEMBL5110704 0.90 PARK7 (0.44) PARK7MCL1BCL2A1CA9CA2

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 PARK7 2430/4885MCL1 1860/4885BCL2A1 897/4885

“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.