SCHEMBL3587657

SCHEMBL3587657

O=C(O)Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.51
FFAR1 O14842 7/20 0.48
PPARA Q07869 2/20 0.48
MAPT P10636 2/20 0.48
CA2 P00918 1/20 0.46
MPC2 O95563 2/20 0.46
CYP2C8 P10632 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
THRA P10827 2/20 0.44

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
SCHEMBL3602711 0.91 CA2 (0.49) PPARGFFAR1PPARAMAPTCA2
SCHEMBL525525 0.86 PPARG (0.59) PPARGFFAR1PPARAMAPTMPC2
SCHEMBL3583787 0.85 PPARG (0.58) PPARGFFAR1PPARAMAPTMPC2
SCHEMBL1386103 0.84 PPARG (0.47) PPARGFFAR1PPARAMAPTCA2
SCHEMBL8312939 0.82 MAPT (0.69) PPARGFFAR1PPARAMAPTMPC2
SCHEMBL4034369 0.81 MAPT (0.60) PPARGFFAR1PPARAMAPTMPC2
SCHEMBL8314990 0.81 MAPT (0.60) PPARGFFAR1PPARAMAPTMPC2
SCHEMBL1386419 0.80 CA2 (0.45) PPARGFFAR1PPARAMAPTCA2
SCHEMBL3594379 0.80 PPARG (0.48) PPARGFFAR1PPARAMAPTCA2
SCHEMBL2568729 0.80 PPARG (0.49) PPARGFFAR1PPARAMAPTCA2

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 9 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
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 5/4885PPARA 8/4885

“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.