SCHEMBL3685322

SCHEMBL3685322

CCCN(CC(C)Oc1ccc(CCC(=O)OC)c(C)c1)S(=O)(=O)c1sc2ccc(F)cc2c1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 6/20 0.36
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
MMP1 P03956 2/20 0.32
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
PFKFB3 Q16875 2/20 0.31
PFKFB4 Q16877 2/20 0.31
GHSR Q92847 1/20 0.30
HTR6 P50406 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3689019 0.92 PPARD (0.38) CMA1PPARGPPARDPPARA
SCHEMBL3690490 0.92 CMA1 (0.36) CMA1PPARGPPARDPPARAMMP1
SCHEMBL3686996 0.88 CMA1 (0.37) CMA1PPARGPPARDPPARAMMP1
SCHEMBL3691196 0.84 PPARD (0.36) CMA1PPARGPPARDPPARA
SCHEMBL3695623 0.83 PPARG (0.42) CMA1PPARGPPARDPPARAPFKFB3
SCHEMBL5173043 0.83 HTR6 (0.39) CMA1PPARGPPARDPPARAPFKFB3
SCHEMBL3684596 0.81 PPARD (0.38) CMA1PPARGPPARDPPARA
SCHEMBL3684709 0.81 CMA1 (0.37) CMA1PER2CRY1CRY2PFKFB3
SCHEMBL3682153 0.80 PPARD (0.44) CMA1PPARGPPARDPPARA
SCHEMBL5174428 0.78 CMA1 (0.34) CMA1GHSR

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 7 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
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO 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 CMA1 4529/4885PPARG 3/4885PPARD 1/4885

“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.