SCHEMBL168958

SCHEMBL168958

O=C(OCc1ccccc1)c1cc(C(F)(F)F)c(C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MRGPRX4 Q96LA9 4/20 0.51
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
FOLH1 Q04609 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL31335801 0.90 MRGPRX4 (0.50) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL16586238 0.90 MRGPRX4 (0.50) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL24983701 0.88 RXRA (0.51) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL30141159 0.88 RXRA (0.51) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL30892446 0.87 RXRA (0.58) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL24983699 0.87 RXRA (0.58) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL23796954 0.87 ALDH1A1 (0.66) ALDH1A1FOLH1TDP1L3MBTL1POLB
SCHEMBL23809724 0.85 ALDH1A1 (0.62) ALDH1A1FOLH1TDP1L3MBTL1POLB
SCHEMBL168177 0.84 MRGPRX4 (0.46) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL166024 0.84 SMN1; SMN2 (0.51) ALDH1A1MRGPRX4RXRARXRBRXRG

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 ALDH1A1 3544/4885MRGPRX4 4551/4885RXRA 4752/4885

“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.