SCHEMBL68438

SCHEMBL68438

CCCCCCC(=O)N(C)Cc1cc(-c2sc(CCC(=O)Oc3ccccc3)cc2CCC)cs1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1B P28222 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1400890 0.86 EPHX2 (0.36) RAB9AMAPTSMN1; SMN2
SCHEMBL1401045 0.81 ACHE (0.34) RAB9AMAPTSMN1; SMN2BCHEACHE
SCHEMBL68783 0.75 AOC3 (0.41) RAB9ABCHEACHENPC1KMT2A
SCHEMBL67519 0.73 EPHX2 (0.42) ESR1KMT2A
SCHEMBL67799 0.71 CYP4F2 (0.43) MAPTKMT2A
SCHEMBL68003 0.69 EPHX2 (0.33) RAB9AMAPTSMN1; SMN2BCHEACHE
SCHEMBL68004 0.69 EPHX2 (0.33) RAB9AMAPTSMN1; SMN2BCHEACHE
SCHEMBL1401230 0.69 ACHE (0.37) RAB9AMAPTSMN1; SMN2BCHEACHE
SCHEMBL68745 0.69 FFAR1 (0.42) MAPTKMT2A
SCHEMBL69410 0.69 AOC3 (0.43) RAB9ABCHEACHENPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ESR1 283/4885HTR1A 1044/4885HTR1B 1439/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA ESR1 578/4885HTR1A 988/4885HTR1B 1438/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA ESR1 578/4885HTR1A 988/4885HTR1B 1438/4885

“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.