SCHEMBL3682018

SCHEMBL3682018

CCCN(CCSc1ccc(OCC(=O)O)cc1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 7/20 0.41
PFKFB4 Q16877 7/20 0.41
CMA1 P23946 6/20 0.38
PPARD Q03181 1/20 0.38
HTR6 P50406 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1B1 P15121 1/20 0.36
SLC2A1 P11166 1/20 0.35
PTPN1 P18031 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
SCHEMBL3691229 0.92 PFKFB3 (0.42) PFKFB3PFKFB4CMA1HTR6NPSR1
SCHEMBL3689242 0.90 PPARD (0.43) PFKFB3PFKFB4CMA1PPARDL3MBTL1
SCHEMBL3692915 0.90 PPARD (0.45) PFKFB3PFKFB4CMA1PPARDAKR1B1
SCHEMBL3684015 0.90 PFKFB3 (0.40) PFKFB3PFKFB4CMA1PPARDHTR6
SCHEMBL3679501 0.88 PTGDR2 (0.39) PFKFB3PFKFB4CMA1PPARDHTR6
SCHEMBL3687426 0.87 PTGDR2 (0.41) PFKFB3PFKFB4CMA1PPARDPTPN1
SCHEMBL3687141 0.86 PTGIR (0.44) PFKFB3PFKFB4CMA1HTR6PTPN1
SCHEMBL3683608 0.86 PPARD (0.44) PFKFB3PFKFB4PPARD
SCHEMBL3684240 0.86 PPARD (0.44) PFKFB3PFKFB4CMA1PPARD
SCHEMBL3686669 0.85 PPARD (0.43) PFKFB3PFKFB4CMA1PPARD

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 8 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 claimed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US claimed
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 PFKFB3 507/4885PFKFB4 469/4885CMA1 4529/4885

“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.