SCHEMBL3950705

SCHEMBL3950705

CCCCCCCNC(=O)N(C)c1cc(-c2ccc(CC(OCC)C(=O)N3CCC(C)CC3)cc2)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.33
ASAH1 Q13510 1/20 0.33
FSHR P23945 1/20 0.32
GAA P10253 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HPGD P15428 2/20 0.32
ADRB1 P08588 1/20 0.32
RARB P10826 2/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL3944779 0.88 TRPV1 (0.33) ADRB3ASAH1GAAHPGDADRB1
SCHEMBL3949408 0.87 PLG (0.36) ADRB3FSHRGAAPLGPRSS1
SCHEMBL2174586 0.84 PPARA (0.43) RARBRARARARGPPARGPPARA
SCHEMBL2174582 0.84 PPARA (0.43) RARBRARARARGPPARGPPARA
SCHEMBL3953427 0.82 PLG (0.36) ADRB3GAAPLGPRSS1PRSS2
SCHEMBL3948253 0.82 PLG (0.36) ADRB3FSHRGAAPLGPRSS1
SCHEMBL3953814 0.81 TRPV1 (0.34) GAAMAPT
SCHEMBL3945203 0.81 PLG (0.38) ADRB3GAAPLGPRSS1PRSS2
SCHEMBL6251888 0.80 HRH3 (0.35) GAAPLGPRSS1PRSS2PRSS3
SCHEMBL1749633 0.80 P2RY12 (0.36) ADRB3GAAHPGDPPARGPPARA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285568-B2 Biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-10-23 US claimed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 US claimed
EP-1567509-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-08-31 EP claimed
WO-2004048351-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-10 WO claimed
US-7582663-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-01 US disclosed
US-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2008-03-20 US disclosed
US-7285568-B2 Biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-10-23 US disclosed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 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-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD ADRB3 174/4885ASAH1 492/4885FSHR 230/4885
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD ADRB3 275/4885ASAH1 486/4885FSHR 158/4885

“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.