SCHEMBL3688960

SCHEMBL3688960

CCOC(=O)C(C)(C)Oc1cccc(OCCBr)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.56
PPARG P37231 2/20 0.56
FBP1 P09467 8/20 0.56
TSHR P16473 3/20 0.51
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR2A P28223 1/20 0.51
PMP22 Q01453 1/20 0.51
L3MBTL1 Q9Y468 5/20 0.45
MAPK1 P28482 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.41
GRM2 Q14416 1/20 0.41

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
SCHEMBL5892173 0.88 PPARA (0.60) PPARAPPARGFBP1TSHRABCB11
SCHEMBL5892213 0.88 PPARA (0.57) PPARAPPARGFBP1TSHRABCB11
SCHEMBL5892198 0.87 PPARA (0.59) PPARAPPARGFBP1TSHRABCB11
SCHEMBL3683041 0.86 PPARA (0.64) PPARAPPARGFBP1TSHRABCB11
SCHEMBL12670824 0.82 PPARA (0.62) PPARAPPARGFBP1TSHRABCB11
SCHEMBL5660952 0.82 PPARA (0.54) PPARAPPARGFBP1TSHRABCB11
SCHEMBL3484814 0.82 PPARA (0.73) PPARAPPARGFBP1TSHRABCB11
SCHEMBL6091395 0.81 PPARA (0.69) PPARAPPARGFBP1TSHRABCB11
SCHEMBL421202 0.81 PPARA (0.61) PPARAPPARGFBP1TSHRABCB11
SCHEMBL31357666 0.81 PPARA (0.61) PPARAPPARGFBP1TSHRABCB11

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 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
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO 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 PPARA 2/4885PPARG 3/4885FBP1 536/4885

“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.