SCHEMBL2083901

SCHEMBL2083901

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2NCc2ccc(F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
PTGS2 P35354 6/20 0.39
FAAH O00519 5/20 0.39
PLK1 P53350 1/20 0.36
PTPN1 P18031 2/20 0.36
HPGD P15428 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL2084180 0.99 CNR2 (0.40) CNR2PTGS2FAAHPLK1PTPN1
SCHEMBL2085249 0.94 PTPN1 (0.41) PTGS2FAAHPLK1PTPN1HPGD
SCHEMBL2083370 0.93 PTPN1 (0.41) PTGS2FAAHPLK1PTPN1HPGD
SCHEMBL12935202 0.92 PTGS2 (0.41) PTGS2FAAHPLK1HPGD
Hydrochloric Acid SCHEMBL2083163 0.91 PTGS2 (0.41) PTGS2FAAHPLK1
SCHEMBL12935186 0.91 FAAH (0.40) PTGS2FAAHPLK1HPGD
Hydrochloric Acid SCHEMBL2085142 0.91 FAAH (0.40) PTGS2FAAHPLK1HPGD
SCHEMBL2087160 0.90 PTPN1 (0.39) PTGS2FAAHPTPN1HPGD
SCHEMBL2083965 0.90 PTPN1 (0.39) PTGS2FAAHPTPN1
SCHEMBL14040887 0.90 PTGS2 (0.37) PTGS2FAAHPLK1HPGD

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 CNR2 1176/4885PTGS2 625/4885FAAH 1231/4885

“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.