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Sugi Predict / Compounds / SCHEMBL5109902

SCHEMBL5109902

SCHEMBL5109902

CCCN1C(=O)C(=NNC(N)=O)c2cc(SCCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARK7 Q99497 1/20 0.37
▸ RARB P10826 6/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PLA2G4B P0C869 2/20 0.33
▸ PLA2G4A P47712 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 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
SCHEMBL5109899 1.00 PARK7 (0.37) PARK7RARBCA12CA1CA2
SCHEMBL14287351 1.00 PARK7 (0.37) PARK7RARBCA12CA1CA2
SCHEMBL14287358 0.95 RARB (0.37) PARK7RARBMEN1KMT2APLK1
SCHEMBL5110144 0.95 RARB (0.37) PARK7RARBMEN1KMT2APLK1
SCHEMBL5110149 0.95 RARB (0.37) PARK7RARBMEN1KMT2APLK1
SCHEMBL5113483 0.95 PARK7 (0.40) PARK7CA12CA1CA2CA9
SCHEMBL5113863 0.95 PARK7 (0.40) PARK7CA12CA1CA2CA9
SCHEMBL14287350 0.95 PARK7 (0.40) PARK7CA12CA1CA2CA9
SCHEMBL14287353 0.94 RARB (0.38) PARK7RARBMEN1KMT2APLK1
SCHEMBL5119205 0.94 RARB (0.38) PARK7RARBMEN1KMT2APLK1

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 4 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

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 2430/4885RARB 37/4885CA12 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.