SCHEMBL3683315

SCHEMBL3683315

CCCN(CC(CC)Sc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.42
ESR1 P03372 1/20 0.39
HCRTR2 O43614 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3683311 1.00 PPARD (0.42) PPARDESR1HCRTR2ALDH1A1PPARA
SCHEMBL3687341 0.92 PPARD (0.51) PPARDPPARA
SCHEMBL3687339 0.92 PPARD (0.51) PPARDPPARA
SCHEMBL13508351 0.89 ALDH1A1 (0.47) PPARDALDH1A1
SCHEMBL3680749 0.89 ALDH1A1 (0.47) PPARDALDH1A1
SCHEMBL14338949 0.85 KDM4E (0.41) ESR1HCRTR2ALDH1A1KDM4EPKM
SCHEMBL13508259 0.83 PPARD (0.51) PPARDPPARA
SCHEMBL3683161 0.83 PPARD (0.51) PPARDPPARA
SCHEMBL13508352 0.83 PPARD (0.45) PPARDESR1ALDH1A1GAANPSR1
SCHEMBL3686617 0.83 PPARD (0.45) PPARDESR1ALDH1A1GAANPSR1

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 3 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
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 1/4885ESR1 1864/4885HCRTR2 1769/4885

“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.