SCHEMBL3689294

SCHEMBL3689294

CCCN(CC(CC)Oc1ccc(OCC(=O)OC)c(C)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 7/20 0.38
PFKFB3 Q16875 6/20 0.38
PFKFB4 Q16877 6/20 0.38
SLC2A1 P11166 1/20 0.37
HTR6 P50406 1/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL3686688 0.92 PPARD (0.40) CMA1PFKFB3PFKFB4SLC2A1
SCHEMBL3690569 0.91 CMA1 (0.36) CMA1
SCHEMBL3687554 0.88 SLC2A1 (0.39) CMA1PFKFB3PFKFB4SLC2A1HTR6
SCHEMBL3689885 0.87 SLC2A1 (0.40) CMA1PFKFB3PFKFB4SLC2A1HTR6
SCHEMBL5173043 0.87 HTR6 (0.39) CMA1PFKFB3PFKFB4SLC2A1HTR6
SCHEMBL3696134 0.85 PPARD (0.37) CMA1PFKFB3PFKFB4SLC2A1HTR6
SCHEMBL13509402 0.85 SLC2A1 (0.37) CMA1PFKFB3PFKFB4SLC2A1HTR6
SCHEMBL3679311 0.84 PPARD (0.41) PFKFB3PFKFB4SLC2A1
SCHEMBL5173637 0.84 ABCB11 (0.38) CMA1PFKFB3PFKFB4SLC2A1HTR6
SCHEMBL14338978 0.84 SLC2A1 (0.36) CMA1PFKFB3PFKFB4SLC2A1HTR6

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 CMA1 4529/4885PFKFB3 507/4885PFKFB4 469/4885

“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.