SCHEMBL3687541

SCHEMBL3687541

CCCN(CCSc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.42
ESR1 P03372 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
CA2 P00918 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
UGT1A7 Q9HAW7 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3689567 0.91 PPARD (0.52) PPARDMAPTCA12CA9CA2
SCHEMBL3685218 0.90 ESR1 (0.39) PPARDESR1MAPTALDH1A1TSHR
SCHEMBL3681862 0.89 ESR1 (0.42) PPARDESR1MAPTALDH1A1CA12
SCHEMBL3684838 0.88 PPARD (0.46) PPARDESR1PTGDR2
SCHEMBL3680414 0.88 MAPT (0.46) PPARDESR1MAPTALDH1A1CA12
SCHEMBL5175114 0.84 ALDH1A1 (0.40) PPARDESR1MAPTALDH1A1TSHR
SCHEMBL3681848 0.83 KEAP1 (0.45) PPARDCA12CA9CA2RAB9A
SCHEMBL3679328 0.82 PTGDR2 (0.44) PPARDCA12CA9CA2RAB9A
SCHEMBL3691500 0.82 PPARD (0.49) PPARDMAPTCA12CA9CA2
SCHEMBL3685295 0.81 PPARD (0.44) PPARDCA9CA2CA1PTGDR2

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 PPARD 1/4885ESR1 1864/4885MAPT 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.