SCHEMBL3685218

SCHEMBL3685218

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
PPARD Q03181 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PTAFR P25105 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3687541 0.90 PPARD (0.42) ESR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3683584 0.86 PPARD (0.41) ESR1MAPTALDH1A1LMNAGAA
SCHEMBL3681862 0.85 ESR1 (0.42) ESR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3680414 0.84 MAPT (0.46) ESR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3684926 0.83 TSHR (0.41) ESR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3684838 0.82 PPARD (0.46) ESR1PPARDPTGDR2
SCHEMBL5175114 0.82 ALDH1A1 (0.40) ESR1MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL3683773 0.82 PPARD (0.44) PPARDPTGDR2
SCHEMBL3691500 0.81 PPARD (0.49) MAPTSMN1; SMN2GAAPPARDPTGDR2
SCHEMBL3686980 0.81 PPARD (0.46) SMN1; SMN2LMNATSHRMAPK1PPARD

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 ESR1 1864/4885MAPT 3428/4885ALDH1A1 1050/4885

“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.