SCHEMBL3439064

SCHEMBL3439064

O=C(CNCc1cccc(-c2ccc(C[C@H](Nc3ccccc3C(=O)O)C(=O)O)cc2)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.48
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
KDM4E B2RXH2 1/20 0.44
AGTR1 P30556 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL3439076 1.00 PPARG (0.48) PPARGITGB1ITGA4ITGB7KDM4E
SCHEMBL2849799 0.93 PPARG (0.58) PPARG
SCHEMBL2849808 0.93 PPARG (0.58) PPARG
SCHEMBL2847847 0.93 PPARG (0.58) PPARG
SCHEMBL3439079 0.89 TP53 (0.41) PPARGITGB1ITGA4ITGB7KDM4E
SCHEMBL3439078 0.89 TP53 (0.41) PPARGITGB1ITGA4ITGB7KDM4E
SCHEMBL6155344 0.84 PPARG (0.49) PPARG
SCHEMBL2856234 0.84 PPARG (0.49) PPARG
SCHEMBL6158614 0.83 ITGB1 (0.47) ITGB1ITGA4ITGB7
SCHEMBL2853890 0.83 PPARG (0.48) PPARG

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-20090062340-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-05 US claimed
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 US claimed
US-7807669-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-05 US disclosed
US-20090062340-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-05 US disclosed
US-7452878-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-11-18 US disclosed
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 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 (2 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-20090062340-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARA, PPARD PPARG 1/4885ITGB1 3957/4885ITGA4 3722/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD PPARG 1/4885ITGB1 3957/4885ITGA4 3722/4885

“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.