SCHEMBL68656

SCHEMBL68656

CCCCCCCCC(=O)N(C)Cc1csc(-c2ccc(CCC(=O)O)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.35
ACHE P22303 3/20 0.35
EPHX2 P34913 2/20 0.35
LTB4R Q15722 1/20 0.34
KMT2A Q03164 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
S1PR1 P21453 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
SLC2A1 P11166 1/20 0.33
ACLY P53396 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
SCHEMBL67524 0.80 EPHX2 (0.35) EPHX2LTB4RKMT2ATHRATHRB
SCHEMBL68870 0.79 EPHX2 (0.37) BCHEACHEEPHX2KMT2ATHRA
SCHEMBL68840 0.76 MIF (0.38) BCHEACHENPC1RAB9A
SCHEMBL68841 0.76 MIF (0.38) BCHEACHENPC1RAB9A
SCHEMBL68657 0.76 HPGD (0.36) ACLY
SCHEMBL4972529 0.74 PTGER1 (0.43) BCHEACHEEPHX2KMT2ANPC1
SCHEMBL68745 0.74 FFAR1 (0.42) LTB4RKMT2A
SCHEMBL4968795 0.73 AOC3 (0.46) KMT2A
SCHEMBL4969484 0.73 FFAR1 (0.48)
SCHEMBL67519 0.71 EPHX2 (0.42) EPHX2LTB4RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513297-B2 Biaromatic compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-20 US claimed
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-17 US claimed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP claimed
US-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-31 US claimed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP claimed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO claimed
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RES & DEV (FR) 2013-11-14 US disclosed
US-8513297-B2 Biaromatic compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-20 US disclosed
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-17 US disclosed
US-8129416-B2 Biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-06 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-31 US disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 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 (3 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-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA BCHE 2506/4885ACHE 4194/4885EPHX2 2020/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA BCHE 2608/4885ACHE 3982/4885EPHX2 1425/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA BCHE 2608/4885ACHE 3982/4885EPHX2 1425/4885

“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.