SCHEMBL3590324

SCHEMBL3590324

O=C(O)Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)cc2C(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR1 P21453 1/20 0.38
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 3/20 0.37
ADRB3 P13945 1/20 0.36
IDO1 P14902 4/20 0.36
TDO2 P48775 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL3597970 0.87 GSK3B (0.44) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL3589133 0.82 GSK3B (0.50) GSK3BMAPTKDM4EGAAL3MBTL1
Hydrochloric Acid SCHEMBL5324374 0.75 IDO1 (0.48) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL13989289 0.72 IDO1 (0.42) GSK3BMAPTKDM4EGAAL3MBTL1
Hydrochloric Acid SCHEMBL4878833 0.72 IDO1 (0.41) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL13989350 0.72 MAPT (0.39) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL12997374 0.68 MAPT (0.43) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL12997365 0.67 MAPT (0.39) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL28648105 0.67 GSK3B (0.68) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL3585109 0.66 PPARG (0.45) MAPTRXRARXRBRXRG

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-2004185-B1 NOVEL HETEROCYCLIC DIPHENYL ETHERS BEXEL PHARMACEUTICALS INC (US) 2013-06-26 EP claimed
US-7781464-B2 Heterocyclic diphenyl ethers BEXEL PHARMACEUTICALS, INC. (US) 2010-08-24 US claimed
EP-2004185-A2 NOVEL HETEROCYCLIC DIPHENYL ETHERS Bexel Pharmaceuticals Inc (US) 2008-12-24 EP claimed
WO-2007097992-A2 NOVEL HETEROCYCLIC DIPHENYL ETHERS BEXEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO claimed
US-20060247285-A1 Novel heterocyclic diphenyl ethers BEXEL PHARMACEUTICALS, INC. 2006-11-02 US claimed
EP-2004185-B1 NOVEL HETEROCYCLIC DIPHENYL ETHERS BEXEL PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
US-7781464-B2 Heterocyclic diphenyl ethers BEXEL PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-20060247285-A1 Novel heterocyclic diphenyl ethers BEXEL PHARMACEUTICALS, INC. 2006-11-02 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 (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-20060247285-A1 Novel heterocyclic diphenyl ethers FFAR4, FFAR3, GPR119 GSK3B 1877/4885MAPT 318/4885KDM4E 775/4885

“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.