SCHEMBL3681973

SCHEMBL3681973

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
PFKFB3 Q16875 4/20 0.41
PFKFB4 Q16877 4/20 0.41
CMA1 P23946 4/20 0.36
PKM P14618 1/20 0.35
SLC2A1 P11166 1/20 0.35
HTR6 P50406 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3680418 0.93 PFKFB3 (0.41) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL3689242 0.92 PPARD (0.43) TDP1L3MBTL1ALDH1A1MAPTPFKFB3
SCHEMBL3694133 0.92 PFKFB3 (0.40) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL3691229 0.91 PFKFB3 (0.42) L3MBTL1PFKFB3PFKFB4CMA1HTR6
SCHEMBL3685206 0.90 PFKFB3 (0.39) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL14338998 0.86 MAPT (0.38) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL3684244 0.86 MAPT (0.38) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL3692915 0.86 PPARD (0.45) PFKFB3PFKFB4CMA1
SCHEMBL3694448 0.85 PFKFB4 (0.38) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL3684015 0.85 PFKFB3 (0.40) MAPTPFKFB3PFKFB4CMA1SLC2A1

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
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

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 TDP1 3887/4885L3MBTL1 4653/4885ALDH1A1 1050/4885

“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.