SCHEMBL2083341

SCHEMBL2083341

CNc1cccc(-c2ccc(CCC(=O)OC)cc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.48
SIRT2 Q8IXJ6 1/20 0.44
FFAR1 O14842 8/20 0.43
FFAR4 Q5NUL3 3/20 0.42
VDR P11473 1/20 0.41
PPARD Q03181 1/20 0.41
BRD4 O60885 1/20 0.40
BTK Q06187 1/20 0.39
CNR2 P34972 1/20 0.38
SYK P43405 1/20 0.38
MMP2 P08253 1/20 0.37

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
SCHEMBL2085684 0.87 PTPN1 (0.47) PTPN1SIRT2FFAR1VDRPPARD
SCHEMBL2086697 0.83 CYP17A1 (0.46) PTPN1SIRT2FFAR1FFAR4VDR
SCHEMBL2085769 0.81 PTPN1 (0.43) PTPN1SIRT2FFAR1VDRPPARD
SCHEMBL2771128 0.80 FFAR1 (0.50) PTPN1SIRT2FFAR1FFAR4CNR2
SCHEMBL21475912 0.78 HTR7 (0.58) PTPN1SIRT2FFAR1FFAR4
SCHEMBL25146605 0.77 RARB (0.48) PTPN1FFAR1
SCHEMBL2500558 0.77 FFAR1 (0.55) FFAR1FFAR4VDRPPARD
SCHEMBL2083064 0.75 CYP4F2 (0.54) FFAR1SYK
SCHEMBL8969138 0.74 NPC1 (0.49) PTPN1SIRT2FFAR1FFAR4
SCHEMBL5105283 0.73 FFAR1 (0.67) FFAR1FFAR4VDRPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US disclosed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 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 (1 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD PTPN1 1201/4885SIRT2 826/4885FFAR1 13/4885

“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.