SCHEMBL3589923

SCHEMBL3589923

O=C(O)Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
FFAR1 O14842 9/20 0.50
PPARG P37231 6/20 0.47
PTPN1 P18031 2/20 0.47
PPARA Q07869 2/20 0.45
MAPT P10636 1/20 0.44
MPC2 O95563 2/20 0.43
CYP2C8 P10632 2/20 0.43
CYP2C9 P11712 2/20 0.43
CA2 P00918 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
SCHEMBL3594379 0.88 PPARG (0.48) ALDH1A1NPSR1FFAR1PPARGPTPN1
SCHEMBL3591037 0.86 PTPN1 (0.62) ALDH1A1NPSR1FFAR1PPARGPTPN1
SCHEMBL525525 0.85 PPARG (0.59) ALDH1A1FFAR1PPARGPPARAMAPT
SCHEMBL3585109 0.84 PPARG (0.45) ALDH1A1NPSR1FFAR1PPARGPTPN1
Hydrochloric Acid SCHEMBL4176084 0.84 ALDH1A1 (0.50) ALDH1A1NPSR1FFAR1PPARGPTPN1
SCHEMBL3583787 0.84 PPARG (0.58) ALDH1A1FFAR1PPARGPPARAMAPT
SCHEMBL13875697 0.80 ALDH1A1 (0.51) ALDH1A1NPSR1FFAR1PPARGPTPN1
SCHEMBL13908674 0.80 ALDH1A1 (0.51) ALDH1A1NPSR1FFAR1PPARGPTPN1
SCHEMBL13866912 0.80 ALDH1A1 (0.51) ALDH1A1NPSR1FFAR1PPARGPTPN1
SCHEMBL13846800 0.80 ALDH1A1 (0.58) ALDH1A1NPSR1FFAR1PPARGPTPN1

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 ALDH1A1 2799/4885NPSR1 2243/4885FFAR1 5/4885

“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.