SCHEMBL3684459

SCHEMBL3684459

CCOC(=O)C(C)(C)Oc1ccc(CCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.51
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
HTR2A P28223 1/20 0.51
PMP22 Q01453 1/20 0.51
PPARD Q03181 4/20 0.47
FBP1 P09467 5/20 0.46
PPARG P37231 6/20 0.42
ENPP1 P22413 1/20 0.42
OPRK1 P41145 1/20 0.40

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
SCHEMBL3684057 0.93 PPARA (0.49) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6828990 0.84 PPARA (0.62) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3683043 0.81 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3903999 0.80 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL25167622 0.79 BCHE (0.59) PPARA
SCHEMBL8210871 0.79 NPSR1 (0.60) TSHRENPP1
SCHEMBL6906905 0.78 CA1 (0.50) CYP3A4ENPP1
SCHEMBL18289524 0.78 CA1 (0.50) CYP3A4ENPP1
SCHEMBL26813621 0.78 CYP1A2 (0.48) CYP1A2TSHRENPP1
SCHEMBL3827170 0.78 PPARA (0.54) PPARAABCB11CYP1A2CYP3A4TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG PPARA 2/4885ABCB11 824/4885CYP1A2 418/4885

“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.