SCHEMBL3684587

SCHEMBL3684587

CCCN(CC(C)Sc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.38
PFKFB4 Q16877 4/20 0.38
ESR1 P03372 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
SLC2A1 P11166 1/20 0.37
CMA1 P23946 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
HTR6 P50406 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ANO1 Q5XXA6 1/20 0.33

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
SCHEMBL3688989 1.00 PFKFB3 (0.38) PFKFB3PFKFB4ESR1TDP1POLB
SCHEMBL3682368 0.93 PPARD (0.41) PFKFB3PFKFB4SLC2A1CMA1
SCHEMBL3686009 0.93 PPARD (0.41) PFKFB3PFKFB4SLC2A1CMA1
SCHEMBL3683627 0.93 PPARD (0.41) PFKFB3PFKFB4SLC2A1CMA1
SCHEMBL3685641 0.92 PFKFB3 (0.37) PFKFB3PFKFB4ESR1TDP1POLB
SCHEMBL13508293 0.92 PFKFB3 (0.37) PFKFB3PFKFB4ESR1TDP1POLB
SCHEMBL3681773 0.89 PPARD (0.40) ESR1
SCHEMBL3681775 0.89 PPARD (0.40) ESR1
SCHEMBL3688991 0.89 PPARD (0.33) ESR1TDP1POLBESR2CTDSP1
SCHEMBL3688995 0.89 PPARD (0.33) ESR1TDP1POLBESR2CTDSP1

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 5 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
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 PFKFB3 507/4885PFKFB4 469/4885ESR1 1864/4885

“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.