SCHEMBL5114499

SCHEMBL5114499

COC(=O)c1ccc(CCSc2ccc3c(c2)/C(=N/NC(=O)NC(C)(C)C)C(=O)N3CCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 4/20 0.40
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AGTR1 P30556 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH2 P05091 2/20 0.34
ALDH3A1 P30838 2/20 0.34
MCL1 Q07820 1/20 0.34
BCL2A1 Q16548 1/20 0.34
RAB9A P51151 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
SCHEMBL5110054 1.00 PARK7 (0.40) PARK7CA9CA1CA2CA4
SCHEMBL5217066 0.93 PARK7 (0.46) PARK7CA9CA1CA2CA4
SCHEMBL5117168 0.86 PARK7 (0.39) PARK7ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL5117661 0.86 MEN1 (0.39) PARK7CA9CA1CA2CA4
SCHEMBL5124128 0.86 PARK7 (0.39) PARK7ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL5117657 0.86 MEN1 (0.39) PARK7CA9CA1CA2CA4
SCHEMBL5117655 0.85 MAPT (0.42) PARK7CA9CA1CA2ALDH1A1
SCHEMBL5117649 0.85 MAPT (0.42) PARK7CA9CA1CA2ALDH1A1
SCHEMBL14287340 0.85 MAPT (0.38) PARK7CA9CA1CA2ALDH1A1
SCHEMBL14287335 0.85 MAPT (0.42) PARK7CA9CA1CA2ALDH1A1

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
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
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

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 2430/4885CA9 4671/4885CA1 4882/4885

“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.