SCHEMBL3679798

SCHEMBL3679798

CCOC(=O)C(C)(C)Oc1ccc(OCCNCCOC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
HTR2A P28223 1/20 0.57
PMP22 Q01453 1/20 0.57
PPARA Q07869 1/20 0.57
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
FBP1 P09467 5/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LTA4H P09960 4/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL4786341 0.86 PPARA (0.56) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL3685389 0.85 PPARA (0.52) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL13905182 0.82 PPARA (0.68) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL13903139 0.81 PPARA (0.58) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL3683041 0.80 PPARA (0.64) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL5892183 0.80 PPARA (0.68) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL5892279 0.80 PPARA (0.68) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL13899375 0.79 PPARA (0.62) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL9335415 0.78 ABCB11 (0.49) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL7979408 0.77 PPARA (0.73) ABCB11CYP1A2CYP3A4TSHRHTR2A

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
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
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
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
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO 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 ABCB11 824/4885CYP1A2 418/4885CYP3A4 858/4885

“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.