SCHEMBL3680418

SCHEMBL3680418

CCCN(CCSc1ccc(OCC(=O)OCC)c(CC)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.41
PFKFB4 Q16877 5/20 0.41
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR6 P50406 2/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
CMA1 P23946 5/20 0.36
SLC2A1 P11166 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
AKR1B1 P15121 1/20 0.34
F9 P00740 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
SCHEMBL3694133 0.95 PFKFB3 (0.40) PFKFB3PFKFB4MAPTL3MBTL1TDP1
SCHEMBL3681973 0.93 TDP1 (0.43) PFKFB3PFKFB4MAPTL3MBTL1TDP1
SCHEMBL3684015 0.92 PFKFB3 (0.40) PFKFB3PFKFB4MAPTHTR6CMA1
SCHEMBL3691229 0.90 PFKFB3 (0.42) PFKFB3PFKFB4L3MBTL1HTR6CMA1
SCHEMBL3685206 0.90 PFKFB3 (0.39) PFKFB3PFKFB4MAPTL3MBTL1TDP1
SCHEMBL3679501 0.88 PTGDR2 (0.39) PFKFB3PFKFB4MAPTHTR6CMA1
SCHEMBL3684244 0.85 MAPT (0.38) PFKFB3PFKFB4MAPTL3MBTL1TDP1
SCHEMBL14338998 0.85 MAPT (0.38) PFKFB3PFKFB4MAPTL3MBTL1TDP1
SCHEMBL3692915 0.85 PPARD (0.45) PFKFB3PFKFB4CMA1AKR1B1
SCHEMBL3689242 0.85 PPARD (0.43) PFKFB3PFKFB4MAPTL3MBTL1TDP1

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 7 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-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 469/4885MAPT 3428/4885

“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.