SCHEMBL3596508

SCHEMBL3596508

O=C(O)Cc1ccc(Oc2ccc(CC3SC(=S)NC3=O)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.51
PPARG P37231 11/20 0.44
MPC2 O95563 2/20 0.44
CYP2C8 P10632 2/20 0.44
CYP2C9 P11712 2/20 0.44
PPARA Q07869 4/20 0.42
CYP3A4 P08684 2/20 0.42
RXRA P19793 1/20 0.42
FFAR1 O14842 4/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3593803 0.90 PPARG (0.54) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL3592956 0.87 CA2 (0.60) CA2PPARGMPC2CYP2C8CYP2C9
SCHEMBL3599404 0.79 MCL1 (0.48) PPARGTSHR
SCHEMBL13846966 0.79 CA2 (0.62) CA2PPARGMPC2CYP2C8CYP2C9
SCHEMBL525525 0.76 PPARG (0.59) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL3583787 0.75 PPARG (0.58) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL3589133 0.74 GSK3B (0.50) MAPTTP53
SCHEMBL3599477 0.74 CA2 (0.45) CA2PPARGRXRAFFAR1
SCHEMBL5669985 0.74 PPARG (0.77) PPARGMPC2CYP2C8CYP2C9PPARA
SCHEMBL18541510 0.74 PPARG (0.77) PPARGMPC2CYP2C8CYP2C9PPARA

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 CA2 3652/4885PPARG 12/4885MPC2 505/4885

“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.