SCHEMBL3684050

SCHEMBL3684050

CCOC(=O)COc1ccc(CCCO)cc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
ADRB3 P13945 2/20 0.44
ALDH1A1 P00352 3/20 0.43
ABCB1 P08183 1/20 0.43
FFAR1 O14842 1/20 0.42
ESR1 P03372 1/20 0.41
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3689530 0.87 ESR1 (0.51) PPARAPPARGCYP4F2CYP4A11ADRB3
SCHEMBL13508337 0.78 GAA (0.57) PPARAPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL6809923 0.77 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL9999941 0.77 ALDH1A1 (0.49) ALDH1A1ABCB1ESR1CASP3CASP7
Ethane SCHEMBL3685478 0.77 GAA (0.56) PPARAPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL6809807 0.76 ALDH1A1 (0.61) CYP4F2CYP4A11ALDH1A1KMT2ATDP1
SCHEMBL20059958 0.74 ESR1 (0.57) PPARAPPARGADRB3ALDH1A1ABCB1
SCHEMBL5274610 0.74 ESR1 (0.51) PPARAPPARGALDH1A1ESR1
SCHEMBL6813895 0.73 CYP4F2 (0.49) PPARAPPARGCYP4F2CYP4A11ADRB3
SCHEMBL6818066 0.73 CYP4F2 (0.49) PPARAPPARGCYP4F2CYP4A11ADRB3

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
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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO 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 PPARA 2/4885PPARG 3/4885CYP4F2 451/4885

“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.