SCHEMBL3685452

SCHEMBL3685452

CCCN(CCSc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1c(C)sc2ccc(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
PPARD Q03181 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
ESR1 P03372 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP1 P29466 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
SCHEMBL3687078 0.92 PPARD (0.45) PPARD
SCHEMBL14338998 0.88 MAPT (0.38) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL3684244 0.88 MAPT (0.38) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL3685695 0.86 MAPT (0.37) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL3681973 0.83 TDP1 (0.43) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL3680418 0.82 PFKFB3 (0.41) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL3692915 0.81 PPARD (0.45) PPARD
SCHEMBL3694133 0.81 PFKFB3 (0.40) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL3694448 0.81 PFKFB4 (0.38) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL3678940 0.80 MAPT (0.40) MAPTTDP1ALDH1A1L3MBTL1HPGD

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 MAPT 3428/4885TDP1 3887/4885ALDH1A1 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.