SCHEMBL3591037

SCHEMBL3591037

COc1cc(CC2SC(=O)NC2=O)ccc1Oc1ccc(CC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.62
CA2 P00918 1/20 0.53
PPARG P37231 8/20 0.49
MPC2 O95563 2/20 0.49
CYP2C8 P10632 2/20 0.49
CYP2C9 P11712 2/20 0.49
FFAR1 O14842 5/20 0.48
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARA Q07869 2/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 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 0.87 PPARG (0.48) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL3589923 0.86 ALDH1A1 (0.56) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL525525 0.84 PPARG (0.59) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL8182679 0.84 PTPN1 (0.79) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL3585109 0.83 PPARG (0.45) PTPN1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6232223 0.83 PTPN1 (0.61) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL3583787 0.83 PPARG (0.58) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL13866914 0.82 PTPN1 (0.56) PTPN1CA2PPARGMPC2CYP2C8
Hydrochloric Acid SCHEMBL3867515 0.81 PTPN1 (0.55) PTPN1CA2PPARGMPC2CYP2C8
SCHEMBL13875929 0.81 PTPN1 (0.55) PTPN1CA2PPARGMPC2CYP2C8

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
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 PTPN1 589/4885CA2 3652/4885PPARG 12/4885

“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.