SCHEMBL4575563

SCHEMBL4575563

CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(NS(C)(=O)=O)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
RORC P51449 1/20 0.37
PSMB5 P28074 1/20 0.37
PPARA Q07869 6/20 0.37
PPARD Q03181 3/20 0.37
NR3C1 P04150 1/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
ACHE P22303 1/20 0.37
AGTR1 P30556 1/20 0.37
DRD3 P35462 1/20 0.37
CACNA1D Q01668 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
PTPN1 P18031 1/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL4575402 0.91 PPARA (0.47) SLC6A2SLC6A4SLC6A3PPARAPPARD
SCHEMBL4575347 0.87 GRM2 (0.39) MCHR1RORCPPARAPPARDABCB11
SCHEMBL4575691 0.86 MAOB (0.44) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL4575784 0.86 PPARA (0.40) MCHR1PPARAPPARDABCB11CYP1A2
SCHEMBL4575509 0.86 PPARA (0.40) MCHR1PPARAPPARDABCB11CYP1A2
SCHEMBL4575218 0.85 PPARA (0.39) MCHR1PSMB5PPARAPPARDABCB11
SCHEMBL4575411 0.85 FBP1 (0.39) MCHR1PPARAPPARDABCB11CYP1A2
SCHEMBL4576065 0.84 MAOB (0.40) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL4574832 0.83 FBP1 (0.40) PPARAPPARDKCNH2ABCB11CYP1A2
SCHEMBL4574849 0.80 PPARA (0.42) PPARAPPARDABCB11CYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD MCHR1 2400/4885SLC6A2 3668/4885SLC6A4 2413/4885

“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.