SCHEMBL3685295

SCHEMBL3685295

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.42
PTPN1 P18031 2/20 0.42
PPARA Q07869 1/20 0.39
APEX1 P27695 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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) PPARDPTGDR2PTPN1PPARAAPEX1
SCHEMBL3681848 0.89 KEAP1 (0.45) PPARDPTGDR2PTPN1PPARACA1
SCHEMBL3687372 0.88 L3MBTL1 (0.47) PPARDPTGDR2PTPN1
SCHEMBL3679328 0.88 PTGDR2 (0.44) PPARDPTGDR2PTPN1PPARAAPEX1
SCHEMBL3691500 0.88 PPARD (0.49) PPARDPTGDR2PTPN1PPARACA1
SCHEMBL3690384 0.87 PTGDR2 (0.44) PPARDPTGDR2PTPN1
SCHEMBL3680331 0.87 PTGDR2 (0.49) PPARDPTGDR2PTPN1APEX1
SCHEMBL3695827 0.87 PPARD (0.51) PPARDPTGDR2PTPN1APEX1
SCHEMBL3692991 0.87 PPARD (0.46) PPARDPTPN1PPARA
SCHEMBL3688913 0.87 ALDH1A1 (0.44) PPARDPTGDR2PTPN1PPARA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP claimed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US claimed
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
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 PPARD 1/4885PTGDR2 328/4885PTPN1 1603/4885

“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.