SCHEMBL165606

SCHEMBL165606

O=C(O)c1cc(C(=O)OCc2ccc(F)cc2)c(OCc2ccc(F)cc2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.48
FFAR1 O14842 1/20 0.48
NR4A2 P43354 2/20 0.47
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
KDM4E B2RXH2 2/20 0.44
PPARA Q07869 2/20 0.44
SLC16A3 O15427 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.43
FOLH1 Q04609 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGER1 P34995 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL168977 0.83 ALDH1A1 (0.57) KDM4EALDH1A1FOLH1L3MBTL1TSHR
SCHEMBL1648521 0.81 LRRK2 (0.56) FFAR4FFAR1KDM4ELMNAMAPT
SCHEMBL167981 0.81 LMNA (0.49) FFAR4FFAR1NR4A2PTPN7PTPN12
SCHEMBL17981664 0.80 ALDH1A1 (0.49) KDM4EALDH1A1FOLH1L3MBTL1TSHR
SCHEMBL23796954 0.78 ALDH1A1 (0.66) NR4A2KDM4EALDH1A1LMNAFOLH1
SCHEMBL1300353 0.78 NR4A2 (0.60) FFAR4FFAR1NR4A2PPARASLC16A3
SCHEMBL167731 0.76 NPC1 (0.46) KDM4EALDH1A1LMNAMAPTTSHR
SCHEMBL1647819 0.76 LRRK2 (0.60) FFAR4FFAR1LMNAFOLH1MAPT
SCHEMBL382869 0.75 ALDH1A1 (0.53) KDM4EALDH1A1FOLH1L3MBTL1TSHR
SCHEMBL6133440 0.75 FFAR4 (0.58) FFAR4KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365551-B2 2-(benzyloxy) benzamides as LRRK2 kinase inhibitors GLAXO GROUP LIMITED (GB) 2016-06-14 US disclosed
EP-2611772-B1 2-(BENZYLOXY)BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-09-24 EP disclosed
US-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-08-29 US disclosed
EP-2611772-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-10 EP disclosed
WO-2012028629-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 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 (1 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-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS LRRK2, PARK7, BRSK2 FFAR4 4723/4885FFAR1 4554/4885NR4A2 3364/4885

“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.