SCHEMBL3686428

SCHEMBL3686428

CCCN(CCSc1ccc(OCC(=O)O)c(C)c1)S(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.51
PPARD Q03181 16/20 0.45
PTPN1 P18031 1/20 0.44
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3680923 0.90 PTGDR2 (0.47) PTGDR2PPARDPTPN1PPARAPPARG
SCHEMBL3692840 0.88 PPARD (0.49) PTGDR2PPARDPTPN1PPARAPPARG
SCHEMBL3691566 0.88 PTGDR2 (0.45) PTGDR2PPARDPTPN1PPARAPPARG
SCHEMBL3685380 0.88 PPARD (0.59) PTGDR2PPARDPPARAPPARG
SCHEMBL3692751 0.87 PPARD (0.46) PPARDPPARA
SCHEMBL3686905 0.87 PPARD (0.57) PTGDR2PPARDPPARA
SCHEMBL3691500 0.86 PPARD (0.49) PTGDR2PPARDPTPN1PPARAPPARG
SCHEMBL3686823 0.86 PPARD (0.55) PTGDR2PPARDPTPN1PPARAPPARG
SCHEMBL3691055 0.85 PPARD (0.49) PTGDR2PPARDPTPN1PPARAPPARG
SCHEMBL3690038 0.85 PTGDR2 (0.45) PTGDR2PPARDPTPN1PPARA

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 PTGDR2 328/4885PPARD 1/4885PTPN1 1603/4885

“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.