SCHEMBL3679313

SCHEMBL3679313

CCCN(CCc1ccc(CCC(=O)O)cc1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 6/20 0.43
PFKFB4 Q16877 6/20 0.43
HTR6 P50406 3/20 0.42
CMA1 P23946 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G4A P47712 1/20 0.39
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL3695828 0.95 CMA1 (0.43) PFKFB3PFKFB4HTR6CMA1NPSR1
SCHEMBL13508598 0.89 CMA1 (0.43) CMA1FFAR1
SCHEMBL3683718 0.86 PPARD (0.51) PFKFB3PFKFB4PLA2G4AFFAR1
SCHEMBL3756003 0.85 PPARA (0.41) PFKFB3PFKFB4HTR6CMA1
SCHEMBL3689003 0.85 CMA1 (0.42) CMA1FFAR1
SCHEMBL3687141 0.84 PTGIR (0.44) PFKFB3PFKFB4HTR6CMA1
SCHEMBL13508319 0.82 CMA1 (0.48) PFKFB3PFKFB4HTR6CMA1NPSR1
SCHEMBL3689304 0.81 PFKFB3 (0.41) PFKFB3PFKFB4HTR6CMA1FFAR1
SCHEMBL3683554 0.81 PPARD (0.44) PFKFB3PFKFB4HTR6CMA1
SCHEMBL3689321 0.81 HTR6 (0.39) PFKFB3PFKFB4HTR6CMA1NPSR1

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 4 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
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 PFKFB3 507/4885PFKFB4 469/4885HTR6 1897/4885

“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.