SCHEMBL84008

SCHEMBL84008

CCCCCCCNC(=O)N(C)c1ccnc(-c2ccc(CCC(=O)O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR2 O95136 2/20 0.42
HPGD P15428 1/20 0.41
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
KDM5A P29375 1/20 0.39
XDH P47989 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SYK P43405 2/20 0.39
ADRB3 P13945 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
EPHX2 P34913 2/20 0.37

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
Acetic Acid SCHEMBL69063 0.98 FFAR1 (0.41) FFAR1S1PR1S1PR3S1PR2HPGD
SCHEMBL70719 0.89 SYK (0.44) HPGDADRB2ADRB1KDM5ASYK
SCHEMBL68044 0.85 RXRA (0.43) ADRB2ADRB1KDM5AADRB3TRPV1
SCHEMBL68087 0.85 HPGD (0.42) FFAR1S1PR1S1PR3S1PR2HPGD
SCHEMBL5762718 0.84 HPGD (0.43) FFAR1S1PR1S1PR3S1PR2HPGD
SCHEMBL1750295 0.83 PPARA (0.42) XDH
SCHEMBL2083468 0.83 HPGD (0.46) FFAR1S1PR1S1PR3S1PR2HPGD
SCHEMBL2085132 0.83 HPGD (0.46) FFAR1S1PR1S1PR3S1PR2HPGD
SCHEMBL2083239 0.83 HPGD (0.46) FFAR1S1PR1S1PR3S1PR2HPGD
SCHEMBL67233 0.82 FFAR4 (0.43) FFAR1HPGDFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 FFAR1 7/4885S1PR1 1047/4885S1PR3 1264/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA FFAR1 4/4885S1PR1 608/4885S1PR3 853/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA FFAR1 4/4885S1PR1 608/4885S1PR3 853/4885

“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.