SCHEMBL68841

SCHEMBL68841

CCCCCCCCC(=O)N(C)Cc1csc(-c2ccc(C=CC(=O)O)c(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.38
LTB4R2 Q9NPC1 8/20 0.37
PPARD Q03181 1/20 0.36
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
RIPK1 Q13546 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL68840 1.00 MIF (0.38) MIFLTB4R2PPARDRARBRARA
SCHEMBL4969846 0.84 AOC3 (0.46) LTB4R2
SCHEMBL4969850 0.84 AOC3 (0.46) LTB4R2
SCHEMBL4969978 0.77 AOC3 (0.41) LTB4R2BCHEACHE
SCHEMBL4969981 0.77 AOC3 (0.41) LTB4R2BCHEACHE
SCHEMBL68656 0.76 BCHE (0.35) BCHEACHENPC1RAB9A
SCHEMBL5654045 0.75 AOC3 (0.46) NPC1RAB9A
SCHEMBL5654050 0.75 AOC3 (0.46) NPC1RAB9A
SCHEMBL68848 0.73 KDM4E (0.43) NPC1RAB9A
SCHEMBL68847 0.73 KDM4E (0.43) NPC1RAB9A

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 12 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

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 MIF 2838/4885LTB4R2 337/4885PPARD 2/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA MIF 3017/4885LTB4R2 369/4885PPARD 2/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA MIF 3017/4885LTB4R2 369/4885PPARD 2/4885

“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.