SCHEMBL3687540

SCHEMBL3687540

CCCN(CCCc1ccc(OC(C)(C)C(=O)OCCN2CCOCC2)cc1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.40
TACR2 P21452 3/20 0.36
PFKFB3 Q16875 2/20 0.36
PFKFB4 Q16877 2/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
TSHR P16473 2/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
CA1 P00915 1/20 0.34
CMA1 P23946 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PLA2G4A P47712 1/20 0.33

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
SCHEMBL3680701 0.87 PPARA (0.46) HTR6PFKFB3PFKFB4TSHRABCB11
SCHEMBL3691319 0.83 PPARA (0.42) HTR6PFKFB3PFKFB4CYP1A2CYP3A4
SCHEMBL3756003 0.79 PPARA (0.41) HTR6PFKFB3PFKFB4CYP1A2CYP3A4
SCHEMBL3687141 0.75 PTGIR (0.44) HTR6PFKFB3PFKFB4CA12CA9
SCHEMBL3685544 0.75 PPARA (0.43) PPARA
SCHEMBL3685095 0.75 PPARA (0.49) HTR6PFKFB3PFKFB4PPARACMA1
SCHEMBL3683343 0.75 PPARA (0.41) PFKFB3PFKFB4CYP1A2CYP3A4PPARA
SCHEMBL3690033 0.75 PPARA (0.51) PPARACMA1
SCHEMBL3695828 0.74 CMA1 (0.43) HTR6PFKFB3PFKFB4CMA1PLA2G4A
SCHEMBL13508475 0.72 PPARG (0.47) PPARA

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 HTR6 1897/4885TACR2 728/4885PFKFB3 507/4885

“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.