SCHEMBL14296459

SCHEMBL14296459

CC(C)(C)OC(=O)CC(CCO)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
KLK7 P49862 2/20 0.37
KLK5 Q9Y337 1/20 0.37
IL6ST P40189 1/20 0.36
USP2 O75604 3/20 0.36
FAAH O00519 1/20 0.36
NAAA Q02083 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
ABCB1 P08183 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
IDH1 O75874 2/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL8011986 1.00 PPARA (0.39) PPARAPLA2G10PLA2G5KLK7KLK5
SCHEMBL17756172 1.00 PPARA (0.39) PPARAPLA2G10PLA2G5KLK7KLK5
SCHEMBL8828126 0.94 PPARA (0.40) PPARAPLA2G10PLA2G5KLK7KLK5
SCHEMBL2025733 0.92 KLK7 (0.43) PPARAPLA2G10PLA2G5KLK7KLK5
SCHEMBL8554605 0.92 FAAH (0.40) PPARAPLA2G10PLA2G5KLK7KLK5
SCHEMBL8554608 0.92 FAAH (0.40) PPARAPLA2G10PLA2G5KLK7KLK5
SCHEMBL974301 0.92 KLK7 (0.43) PPARAPLA2G10PLA2G5KLK7KLK5
SCHEMBL6448977 0.92 KLK7 (0.43) PPARAPLA2G10PLA2G5KLK7KLK5
SCHEMBL6448978 0.92 KLK7 (0.43) PPARAPLA2G10PLA2G5KLK7KLK5
SCHEMBL8554613 0.92 FAAH (0.40) PPARAPLA2G10PLA2G5KLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927217-B1 AMIDE COMPOUND AND PHARMACEUTICAL APPLICATION THEREFOR JAPAN TOBACCO INC (JP) 2018-01-17 EP disclosed
US-20160346256-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-12-01 US disclosed
US-20160346256-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-12-01 US disclosed
EP-2927217-A1 Amide compound and pharmaceutical application therefor Japan Tobacco Inc. (JP) 2015-10-07 EP disclosed
US-20140296306-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2014-10-02 US disclosed
US-20140296306-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2014-10-02 US disclosed
US-20120322837-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2012-12-20 US disclosed
US-20120322837-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2012-12-20 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-20160346256-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF SLC10A2, SLC10A1, SLC5A11 PPARA 303/4885PLA2G10 2717/4885PLA2G5 3002/4885
US-20120322837-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF SLC10A2, SLC10A1, SLC5A11 PPARA 303/4885PLA2G10 2717/4885PLA2G5 3002/4885
US-20140296306-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF SLC10A2, SLC10A1, SLC5A11 PPARA 303/4885PLA2G10 2717/4885PLA2G5 3002/4885

“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.