SCHEMBL2853142

SCHEMBL2853142

CC(C)(C)OC(=O)NC(Cc1ccc(-c2cccc(CNCC(=O)c3ccccc3)c2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.56
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
CTSB P07858 2/20 0.55
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
ITGB1 P05556 2/20 0.50
ITGAV P06756 1/20 0.50
ITGB5 P18084 1/20 0.50
ATM Q13315 1/20 0.49
PTPN1 P18031 1/20 0.48
PPARA Q07869 5/20 0.48
PPARG P37231 4/20 0.48
PPARD Q03181 2/20 0.48
CTSL P07711 1/20 0.48
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47
MME P08473 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
SCN9A Q15858 1/20 0.47

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
SCHEMBL2853135 1.00 ACE (0.56) ACECTSSCTSKCTSBITGB3
SCHEMBL2856941 1.00 ACE (0.56) ACECTSSCTSKCTSBITGB3
SCHEMBL6158635 0.93 CTSS (0.53) ACECTSSCTSKCTSBATM
SCHEMBL3439248 0.91 CTSS (0.52) ACECTSSCTSKCTSBITGB3
SCHEMBL6155054 0.91 CTSS (0.52) ACECTSSCTSKCTSBITGB3
SCHEMBL2859101 0.85 CTSS (0.61) ACECTSSCTSKCTSBITGB3
SCHEMBL2856700 0.85 CTSS (0.61) ACECTSSCTSKCTSBITGB3
SCHEMBL2856693 0.85 CTSS (0.61) ACECTSSCTSKCTSBITGB3
SCHEMBL6158637 0.84 CTSS (0.46) ACECTSSCTSKCTSBATM
SCHEMBL6158614 0.84 ITGB1 (0.47) ACECTSSCTSKCTSBITGB3

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 9 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
EP-1575911-B1 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2010-01-13 EP 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
EP-1575911-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-21 EP disclosed
WO-2004046091-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-03 WO 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 ACE 2858/4885CTSS 1830/4885CTSK 1750/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD ACE 2858/4885CTSS 1830/4885CTSK 1750/4885

“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.