SCHEMBL3685206

SCHEMBL3685206

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.39
PFKFB4 Q16877 5/20 0.39
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CMA1 P23946 4/20 0.34
F9 P00740 1/20 0.33
SLC2A1 P11166 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR6 P50406 1/20 0.33
GAA P10253 1/20 0.33
F10 P00742 1/20 0.32
CCR2 P41597 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL3687426 0.93 PTGDR2 (0.41) PFKFB3PFKFB4MAPTALDH1A1HPGD
SCHEMBL3681973 0.90 TDP1 (0.43) PFKFB3PFKFB4MAPTTDP1L3MBTL1
SCHEMBL3680418 0.90 PFKFB3 (0.41) PFKFB3PFKFB4MAPTTDP1L3MBTL1
SCHEMBL3694133 0.88 PFKFB3 (0.40) PFKFB3PFKFB4MAPTTDP1L3MBTL1
SCHEMBL3691229 0.87 PFKFB3 (0.42) PFKFB3PFKFB4L3MBTL1CMA1HTR6
SCHEMBL3685695 0.87 MAPT (0.37) PFKFB3PFKFB4MAPTTDP1L3MBTL1
SCHEMBL3687180 0.85 PPARD (0.40)
SCHEMBL3684244 0.83 MAPT (0.38) PFKFB3PFKFB4MAPTTDP1L3MBTL1
SCHEMBL14338998 0.83 MAPT (0.38) PFKFB3PFKFB4MAPTTDP1L3MBTL1
SCHEMBL3689242 0.83 PPARD (0.43) PFKFB3PFKFB4MAPTTDP1L3MBTL1

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 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.