SCHEMBL3686795

SCHEMBL3686795

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
PPARD Q03181 13/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
CA12 O43570 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
UGT1A7 Q9HAW7 1/20 0.39
SLC22A11 Q9NSA0 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
SCHEMBL3686523 0.91 PTPN1 (0.45) PTPN1PPARDPPARACA2CA9
SCHEMBL3683314 0.90 PPARD (0.45) PTPN1PPARDPPARACA2CA9
SCHEMBL3683911 0.89 PTGDR2 (0.42) PTPN1PPARDCA2CA9CA1
SCHEMBL3681848 0.89 KEAP1 (0.45) PTPN1PPARDPPARACA2CA9
SCHEMBL3688843 0.88 PPARD (0.44) PTPN1PPARDPPARACA2CA9
SCHEMBL3679328 0.88 PTGDR2 (0.44) PTPN1PPARDPPARACA2CA9
SCHEMBL3691500 0.88 PPARD (0.49) PTPN1PPARDPPARAPPARGCA2
SCHEMBL3684622 0.88 PPARD (0.43) PTPN1PPARDPPARACA2CA9
SCHEMBL3691579 0.87 PPARD (0.42) PTPN1PPARDPPARACA2CA9
SCHEMBL3689567 0.87 PPARD (0.52) PTPN1PPARDPPARACA2CA9

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
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
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 PTPN1 1603/4885PPARD 1/4885PPARA 2/4885

“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.