SCHEMBL3686535

SCHEMBL3686535

CCCN(CCSc1ccc(OCC(=O)O)c(C)c1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.44
PPARA Q07869 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PPARG P37231 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
SCHEMBL3688562 0.96 PPARD (0.43) PPARDPPARAKDM4EALDH1A1HPGD
SCHEMBL3686726 0.90 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL3687953 0.90 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL3692991 0.87 PPARD (0.46) PPARDPPARATDP1PPARG
SCHEMBL3687419 0.87 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL3691500 0.86 PPARD (0.49) PPARDPPARAPTGDR2PPARG
SCHEMBL3687279 0.86 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL3693732 0.86 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL5174293 0.86 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL3686983 0.85 PPARD (0.42) PPARDPPARAPPARG

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 PPARD 1/4885PPARA 2/4885KDM4E 3238/4885

“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.