SCHEMBL3680414

SCHEMBL3680414

CCCN(CCSc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA2 P00918 1/20 0.39
RAB9A P51151 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
ESR1 P03372 2/20 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
SCHEMBL3681862 0.92 ESR1 (0.42) MAPTGAANPSR1POLBHTT
SCHEMBL3697001 0.92 PPARD (0.50) MAPTGAANPSR1POLBHTT
SCHEMBL3687541 0.88 PPARD (0.42) MAPTGAANPSR1POLBLMNA
SCHEMBL3684838 0.86 PPARD (0.46) PPARDESR1
SCHEMBL3691500 0.85 PPARD (0.49) MAPTGAANPSR1POLBPPARD
SCHEMBL3685218 0.84 ESR1 (0.39) MAPTGAALMNAPPARDALDH1A1
SCHEMBL3683584 0.84 PPARD (0.41) MAPTGAANPSR1POLBLMNA
SCHEMBL3692840 0.84 PPARD (0.49) MAPTGAANPSR1POLBPPARD
SCHEMBL3690506 0.84 PPARD (0.54) PPARD
SCHEMBL3681848 0.82 KEAP1 (0.45) PPARDCA12CA9SMN1; SMN2CA2

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 MAPT 3428/4885GAA 975/4885NPSR1 466/4885

“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.