SCHEMBL3439128

SCHEMBL3439128

CCCCc1ccc(NC(=O)N(C)c2cccc(-c3ccc(C[C@H](NC(=O)CCc4ccccc4)C(=O)O)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.45
ITGAV P06756 4/20 0.45
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGA2B P08514 2/20 0.44
FAAH O00519 2/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 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
SCHEMBL3439130 1.00 ITGB3 (0.45) ITGB3ITGAVITGB1ITGA4ITGA2B
SCHEMBL3439131 0.95 ITGB1 (0.45) ITGB3ITGAVITGB1ITGA4ITGA2B
SCHEMBL3439129 0.95 ITGB1 (0.45) ITGB3ITGAVITGB1ITGA4ITGA2B
SCHEMBL3439111 0.90 PTPN1 (0.48) ITGB3ITGAVITGB1ITGA4ITGA2B
SCHEMBL3439113 0.90 PTPN1 (0.48) ITGB3ITGAVITGB1ITGA4ITGA2B
SCHEMBL2085546 0.87 FFAR1 (0.48)
SCHEMBL3439056 0.85 FAAH (0.53) ITGB3ITGB1ITGA4ITGA2BFAAH
SCHEMBL2083354 0.81 FFAR1 (0.50) ITGB3ITGAVITGB1ITGA2BALDH1A1
SCHEMBL2083875 0.80 SENP1 (0.42) ALDH1A1
SCHEMBL2085572 0.79 FFAR1 (0.49) GAA

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 3868/4885ITGB1 3957/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD ITGB3 4287/4885ITGAV 3868/4885ITGB1 3957/4885

“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.