SCHEMBL3689530

SCHEMBL3689530

CCOC(=O)COc1ccc(CCCO)cc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
ADRB3 P13945 2/20 0.45
ALDH1A1 P00352 3/20 0.45
ABCB1 P08183 1/20 0.44
FFAR4 Q5NUL3 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FFAR1 O14842 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL20059958 0.87 ESR1 (0.57) ESR1PPARAPPARGADRB3ALDH1A1
SCHEMBL3684050 0.87 PPARA (0.48) ESR1PPARAPPARGCYP4F2CYP4A11
SCHEMBL14526028 0.86 ESR1 (0.55) ESR1ALDH1A1ABCB1KDM4EHPGD
SCHEMBL6813642 0.85 ESR1 (0.52) ESR1PPARAPPARGADRB3ALDH1A1
SCHEMBL5522834 0.82 ESR1 (0.54) ESR1ADRB3ALDH1A1ABCB1KDM4E
SCHEMBL14526030 0.82 ESR1 (0.54) ESR1CYP4F2CYP4A11ADRB3ALDH1A1
SCHEMBL13508337 0.80 GAA (0.57) PPARAPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL6809923 0.80 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
Ethane SCHEMBL3685478 0.79 GAA (0.56) PPARAPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL6809807 0.78 ALDH1A1 (0.61) CYP4F2CYP4A11ALDH1A1KMT2ASMN1; SMN2

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 11 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-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 ESR1 1864/4885PPARA 2/4885PPARG 3/4885

“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.