SCHEMBL3687372

SCHEMBL3687372

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
PPARD Q03181 8/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.43
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3687274 0.92 L3MBTL1 (0.50) L3MBTL1PPARDALDH1A1GAAPTGDR2
SCHEMBL3690506 0.91 PPARD (0.54) PPARDPTPN1
SCHEMBL3681848 0.89 KEAP1 (0.45) PPARDPTGDR2PTPN1SMN1; SMN2
SCHEMBL3679328 0.89 PTGDR2 (0.44) PPARDPTGDR2PTPN1SMN1; SMN2
SCHEMBL3691500 0.88 PPARD (0.49) PPARDGAAPTGDR2PTPN1MAPT
SCHEMBL3687353 0.88 PPARD (0.52) PPARDPTGDR2PTPN1
SCHEMBL3690384 0.88 PTGDR2 (0.44) PPARDPTGDR2PTPN1
SCHEMBL3685295 0.88 PPARD (0.44) PPARDPTGDR2PTPN1
SCHEMBL3680331 0.88 PTGDR2 (0.49) L3MBTL1PPARDPTGDR2PTPN1MAPT
SCHEMBL3695827 0.88 PPARD (0.51) L3MBTL1PPARDALDH1A1PTGDR2PTPN1

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 L3MBTL1 4653/4885PDE4A 1596/4885PDE4B 2179/4885

“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.