SCHEMBL14243701

SCHEMBL14243701

CC(C)(C)OC(=O)CC(CCCOCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
PPARA Q07869 2/20 0.48
MMP3 P08254 5/20 0.47
MMP1 P03956 4/20 0.47
MMP8 P22894 4/20 0.46
MMP9 P14780 3/20 0.46
PPARG P37231 1/20 0.44
SLC15A1 P46059 2/20 0.43
SLC1A1 P43005 1/20 0.42
CTSS P25774 1/20 0.41
FOLH1 Q04609 1/20 0.40
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL15684087 1.00 L3MBTL1 (0.51) L3MBTL1PPARAMMP3MMP1MMP8
SCHEMBL7422742 0.96 L3MBTL1 (0.53) L3MBTL1PPARAMMP3MMP1MMP8
SCHEMBL2410580 0.94 PPARA (0.49) L3MBTL1PPARAMMP3MMP1MMP8
SCHEMBL2410585 0.94 PPARA (0.49) L3MBTL1PPARAMMP3MMP1MMP8
SCHEMBL17756152 0.94 PPARA (0.49) L3MBTL1PPARAMMP3MMP1MMP8
SCHEMBL7475848 0.87 CTSL (0.41) L3MBTL1PPARAMMP3MMP1MMP8
SCHEMBL15684088 0.86 L3MBTL1 (0.50) L3MBTL1PPARAMMP3MMP1MMP8
SCHEMBL17755918 0.86 L3MBTL1 (0.46) L3MBTL1PPARAMMP3MMP1MMP8
SCHEMBL17755935 0.85 L3MBTL1 (0.47) L3MBTL1PPARAMMP3MMP1MMP8
SCHEMBL17755916 0.85 L3MBTL1 (0.47) L3MBTL1PPARAMMP3MMP1MMP8

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 15 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
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
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
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-20140296306-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2014-10-02 US disclosed
EP-2719690-A1 AMIDE COMPOUND AND PHARMACEUTICAL APPLICATION THEREFOR Japan Tobacco Inc. (JP) 2014-04-16 EP disclosed
US-8604069-B2 Amide compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2013-12-10 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
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 L3MBTL1 4474/4885PPARA 303/4885MMP3 2718/4885
US-20120322837-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF SLC10A2, SLC10A1, SLC5A11 L3MBTL1 4474/4885PPARA 303/4885MMP3 2718/4885
US-20140296306-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF SLC10A2, SLC10A1, SLC5A11 L3MBTL1 4474/4885PPARA 303/4885MMP3 2718/4885

“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.