SCHEMBL3684838

SCHEMBL3684838

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.46
ESR1 P03372 1/20 0.45
PPARA Q07869 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL3686905 0.91 PPARD (0.57) PPARDPPARAPTGDR2
SCHEMBL3685380 0.89 PPARD (0.59) PPARDPPARAPTGDR2
SCHEMBL3687541 0.88 PPARD (0.42) PPARDESR1PTGDR2
SCHEMBL3681862 0.87 ESR1 (0.42) PPARDESR1PPARA
SCHEMBL3680414 0.86 MAPT (0.46) PPARDESR1
SCHEMBL3687180 0.84 PPARD (0.40) PPARDESR1PPARA
SCHEMBL3683584 0.84 PPARD (0.41) PPARDESR1PPARA
SCHEMBL3685218 0.82 ESR1 (0.39) PPARDESR1PTGDR2
SCHEMBL5174443 0.82 ESR1 (0.42) ESR1
SCHEMBL3686823 0.82 PPARD (0.55) PPARDPPARAPTGDR2

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 PPARD 1/4885ESR1 1864/4885PPARA 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.