SCHEMBL3439129

SCHEMBL3439129

CCCCc1ccc(NC(=O)N(C)c2cccc(-c3ccc(C[C@H](NC(=O)CCC)C(=O)O)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB3 P05106 9/20 0.44
ITGAV P06756 7/20 0.44
MAPT P10636 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ITGA2B P08514 2/20 0.43
FAAH O00519 2/20 0.41
GAA P10253 1/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41

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
SCHEMBL3439131 1.00 ITGB1 (0.45) ITGB1ITGA4ITGB3ITGAVMAPT
SCHEMBL3439128 0.95 ITGB3 (0.45) ITGB1ITGA4ITGB3ITGAVMAPT
SCHEMBL3439130 0.95 ITGB3 (0.45) ITGB1ITGA4ITGB3ITGAVMAPT
SCHEMBL3439111 0.90 PTPN1 (0.48) ITGB1ITGA4ITGB3ITGAVMAPT
SCHEMBL3439113 0.90 PTPN1 (0.48) ITGB1ITGA4ITGB3ITGAVMAPT
SCHEMBL2085546 0.87 FFAR1 (0.48)
SCHEMBL3439084 0.83 FAAH (0.50) ITGB1ITGA4ITGB3ITGAVMME
SCHEMBL3439133 0.82 FAAH (0.52) ITGB1ITGA4ITGB3ITGAVMME
SCHEMBL2083354 0.81 FFAR1 (0.50) ITGB1ITGB3ITGAVITGA2BGAA
SCHEMBL2083875 0.80 SENP1 (0.42)

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 ITGB1 3957/4885ITGA4 3722/4885ITGB3 4287/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD ITGB1 3957/4885ITGA4 3722/4885ITGB3 4287/4885

“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.