SCHEMBL3683584

SCHEMBL3683584

CCCN(CCSc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.41
ESR1 P03372 1/20 0.38
PTPN1 P18031 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGER1 P34995 1/20 0.35
PPARA Q07869 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3694047 0.92 PPARD (0.50) PPARDPTPN1PPARA
SCHEMBL3687872 0.88 PPARD (0.43) PPARDESR1PPARA
SCHEMBL3685218 0.86 ESR1 (0.39) PPARDESR1MAPTALDH1A1GAA
SCHEMBL3688397 0.86 PPARD (0.42) PPARDESR1PPARA
SCHEMBL3684838 0.84 PPARD (0.46) PPARDESR1PPARA
SCHEMBL3680414 0.84 MAPT (0.46) PPARDESR1MAPTALDH1A1NPSR1
SCHEMBL3692120 0.84 PPARD (0.40) PPARDESR1PPARA
SCHEMBL3690903 0.82 PPARD (0.57) PPARDPPARA
SCHEMBL3681862 0.81 ESR1 (0.42) PPARDESR1PTPN1MAPTALDH1A1
SCHEMBL3687541 0.81 PPARD (0.42) PPARDESR1MAPTALDH1A1NPSR1

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 4 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
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 1864/4885PTPN1 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.