SCHEMBL3681848

SCHEMBL3681848

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
PPARD Q03181 10/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
UGT1A7 Q9HAW7 1/20 0.44
SLC22A11 Q9NSA0 1/20 0.44
CA1 P00915 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
PTPN1 P18031 2/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL3679328 0.93 PTGDR2 (0.44) PPARDCA2CA9CA12RAB9A
SCHEMBL3691500 0.93 PPARD (0.49) PPARDCA2CA9CA12RAB9A
SCHEMBL3686523 0.92 PTPN1 (0.45) PPARDCA2CA9CA12RAB9A
SCHEMBL3683309 0.92 PPARD (0.45) PPARDCA2CA9CA12RAB9A
SCHEMBL3697015 0.92 PPARD (0.52) PPARDCA2CA9CA12RAB9A
SCHEMBL3689567 0.92 PPARD (0.52) PPARDCA2CA9CA12RAB9A
SCHEMBL3691579 0.92 PPARD (0.42) PPARDCA2CA9CA12RAB9A
SCHEMBL3694596 0.91 CA9 (0.46) PPARDCA2CA9CA12RAB9A
SCHEMBL3692840 0.91 PPARD (0.49) PPARDPTGDR2PTPN1PPARA
SCHEMBL3683314 0.91 PPARD (0.45) PPARDCA2CA9CA12RAB9A

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 6 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
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 KEAP1 2456/4885NFE2L2 883/4885PPARD 1/4885

“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.