SCHEMBL5111397

SCHEMBL5111397

CN1C(=O)C(=O)c2cc(SCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.51
CASP3 P42574 4/20 0.47
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MCL1 Q07820 3/20 0.41
BCL2A1 Q16548 3/20 0.41
VCP P55072 1/20 0.39
HDAC1 Q13547 1/20 0.39
PPARA Q07869 1/20 0.39
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL5124615 0.86 CASP3 (0.48) PARK7CASP3
SCHEMBL5125074 0.85 PARK7 (0.73) PARK7CASP3MAOAMAOBMCL1
SCHEMBL5114060 0.85 PARK7 (0.56) PARK7
SCHEMBL5113902 0.84 PARK7 (0.55) PARK7
SCHEMBL5117208 0.83 PARK7 (0.54) PARK7
SCHEMBL5118438 0.83 PARK7 (0.60) PARK7CASP3MAOAMAOBMCL1
SCHEMBL5124275 0.81 PARK7 (0.54) PARK7PLA2G2A
SCHEMBL5125380 0.79 PARK7 (0.52) PARK7
SCHEMBL5125157 0.78 PARK7 (0.51) PARK7
SCHEMBL5118196 0.78 MCL1 (0.39) PARK7NR1H2NR1H3MAOAMAOB

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 3 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 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 2430/4885CASP3 2895/4885NR1H2 13/4885

“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.