SCHEMBL3585109

SCHEMBL3585109

O=C(O)Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.45
FFAR1 O14842 8/20 0.45
PTPN1 P18031 2/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
PPARA Q07869 2/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR3C1 P04150 1/20 0.42
MAPT P10636 1/20 0.42
MPC2 O95563 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3599477 0.91 CA2 (0.45) PPARGFFAR1PTPN1RXRARXRB
SCHEMBL3594379 0.87 PPARG (0.48) PPARGFFAR1PTPN1PPARAALDH1A1
SCHEMBL2571571 0.85 FFAR1 (0.43) PPARGFFAR1PTPN1PPARAALDH1A1
SCHEMBL3587126 0.85 HRH3 (0.41) PPARGFFAR1PTPN1PPARAALDH1A1
SCHEMBL3589923 0.84 ALDH1A1 (0.56) PPARGFFAR1PTPN1PPARAALDH1A1
SCHEMBL2569823 0.84 FFAR1 (0.45) PPARGFFAR1PTPN1PPARAMAPT
SCHEMBL3591037 0.83 PTPN1 (0.62) PPARGFFAR1PTPN1PPARAALDH1A1
SCHEMBL525525 0.82 PPARG (0.59) PPARGFFAR1RXRAPPARAALDH1A1
SCHEMBL1384582 0.81 PTPN1 (0.43) PPARGFFAR1PTPN1ALDH1A1NPSR1
SCHEMBL3583787 0.81 PPARG (0.58) PPARGFFAR1RXRAPPARAALDH1A1

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 10 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
EP-2004185-A2 NOVEL HETEROCYCLIC DIPHENYL ETHERS Bexel Pharmaceuticals Inc (US) 2008-12-24 EP disclosed
WO-2007097992-A2 NOVEL HETEROCYCLIC DIPHENYL ETHERS BEXEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO 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 PPARG 12/4885FFAR1 5/4885PTPN1 589/4885

“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.