SCHEMBL2084596

SCHEMBL2084596

CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2NCCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
FAAH O00519 1/20 0.37
PTGS2 P35354 1/20 0.37
TLR7 Q9NYK1 5/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
HPGD P15428 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL2083965 0.99 PTPN1 (0.39) PTPN1FAAHPTGS2TLR7LTB4R2
SCHEMBL2083265 0.96 PTPN1 (0.39) PTPN1FAAHPTGS2TLR7LTB4R2
SCHEMBL2087160 0.96 PTPN1 (0.39) PTPN1FAAHPTGS2HPGD
SCHEMBL2083370 0.92 PTPN1 (0.41) PTPN1FAAHPTGS2LTB4R2HPGD
SCHEMBL12935167 0.91 FAAH (0.40) PTPN1FAAHPTGS2LTB4R2HPGD
SCHEMBL2085249 0.91 PTPN1 (0.41) PTPN1FAAHPTGS2LTB4R2HPGD
SCHEMBL12935185 0.90 FAAH (0.41) FAAHPTGS2LTB4R2HPGD
Hydrochloric Acid SCHEMBL2084651 0.90 FAAH (0.39) PTPN1FAAHPTGS2LTB4R2HPGD
SCHEMBL2084180 0.90 CNR2 (0.40) PTPN1FAAHPTGS2HPGD
SCHEMBL2085809 0.90 PTGS2 (0.41) PTPN1FAAHPTGS2HPGD

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 1201/4885FAAH 1231/4885PTGS2 625/4885

“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.