SCHEMBL3439050

SCHEMBL3439050

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C[C@H](NC(=O)Nc3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.56
ITGAV P06756 12/20 0.56
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
LMNA P02545 1/20 0.44
FPR2 P25090 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43

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
SCHEMBL3439051 1.00 ITGB3 (0.56) ITGB3ITGAVEPHX1ALDH1A1HTT
SCHEMBL3439150 0.90 ITGB3 (0.51) ITGB3ITGAVFPR2
SCHEMBL3439265 0.88 L3MBTL1 (0.48) ITGB3ITGAVMMEACECPA1
SCHEMBL3439266 0.88 L3MBTL1 (0.48) ITGB3ITGAVMMEACECPA1
SCHEMBL3439116 0.87 PTGS2 (0.43) ITGB3ITGAVMMEACECPA1
SCHEMBL3439115 0.87 PTGS2 (0.43) ITGB3ITGAVMMEACECPA1
SCHEMBL3439038 0.86 PTGS2 (0.44) ITGB3ITGAVMMEACECPA1
SCHEMBL3439039 0.86 PTGS2 (0.44) ITGB3ITGAVMMEACECPA1
SCHEMBL3439055 0.86 ITGB3 (0.45) ITGB3ITGAVMMEACECPA1
SCHEMBL3439054 0.86 ITGB3 (0.45) ITGB3ITGAVMMEACECPA1

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 ITGB3 4287/4885ITGAV 3868/4885EPHX1 1049/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD ITGB3 4287/4885ITGAV 3868/4885EPHX1 1049/4885

“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.