SCHEMBL3683822

SCHEMBL3683822

CCCN(CCSc1ccc(OCC(=O)O)c(C)c1)S(=O)(=O)c1ccc(-c2ccnc(SC)n2)s1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.41
GABRA1 P14867 1/20 0.38
PPARD Q03181 11/20 0.37
PPARA Q07869 8/20 0.37
PPARG P37231 3/20 0.37
MMP8 P22894 2/20 0.37
MMP3 P08254 1/20 0.37
PFKFB4 Q16877 1/20 0.35
PTPN1 P18031 1/20 0.35
CCKBR P32239 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
SCHEMBL3682847 0.80 GAA (0.44) PPARDPPARAPPARG
SCHEMBL3690601 0.77 PPARD (0.39) PPARDPPARAPPARG
SCHEMBL3691500 0.77 PPARD (0.49) PPARDPPARAPPARGPTPN1
SCHEMBL3689879 0.77 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL3680570 0.76 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL3684131 0.75 PPARD (0.44) PPARDPPARA
SCHEMBL3681848 0.75 KEAP1 (0.45) PPARDPPARAPTPN1
SCHEMBL3686886 0.75 PPARD (0.42) PPARDPPARAPPARGPTPN1
SCHEMBL3683773 0.74 PPARD (0.44) PPARDPPARAPPARGPTPN1
SCHEMBL3679328 0.74 PTGDR2 (0.44) PPARDPPARAPTPN1

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
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP 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 507/4885GABRA1 1089/4885PPARD 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.