SCHEMBL3680701

SCHEMBL3680701

CCCN(CCCc1ccc(OC(C)(C)C(=O)OCC)cc1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
CMA1 P23946 5/20 0.40
PFKFB3 Q16875 5/20 0.40
PFKFB4 Q16877 5/20 0.40
PPARG P37231 1/20 0.40
OPRK1 P41145 1/20 0.38
HTR6 P50406 1/20 0.38
CNR1 P21554 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL3691319 0.92 PPARA (0.42) PPARACYP1A2CYP3A4CMA1PFKFB3
SCHEMBL3756003 0.88 PPARA (0.41) PPARACYP1A2CYP3A4CMA1PFKFB3
SCHEMBL3687540 0.87 HTR6 (0.40) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3687141 0.83 PTGIR (0.44) CMA1PFKFB3PFKFB4HTR6
SCHEMBL3685544 0.83 PPARA (0.43) PPARAPPARG
SCHEMBL3685095 0.83 PPARA (0.49) PPARACMA1PFKFB3PFKFB4PPARG
SCHEMBL3683343 0.83 PPARA (0.41) PPARACYP1A2CYP3A4CMA1PFKFB3
SCHEMBL3690033 0.83 PPARA (0.51) PPARACMA1PPARG
SCHEMBL3695828 0.82 CMA1 (0.43) CMA1PFKFB3PFKFB4HTR6NPSR1
SCHEMBL13508475 0.80 PPARG (0.47) PPARAPPARG

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 PPARA 2/4885ABCB11 824/4885CYP1A2 418/4885

“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.