SCHEMBL4575979

SCHEMBL4575979

CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(-c3coc(C4CC4)n3)cc2)C(N)=NO)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
PPARA Q07869 7/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARG P37231 7/20 0.32
DAGLA Q9Y4D2 3/20 0.31
DAGLB Q8NCG7 2/20 0.31
FBP1 P09467 1/20 0.31
PPARD Q03181 3/20 0.31

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
SCHEMBL4575973 1.00 S1PR1 (0.41) S1PR1S1PR3PPARAABCB11CYP1A2
SCHEMBL4575948 0.84 S1PR1 (0.41) S1PR1S1PR3PPARAABCB11CYP1A2
SCHEMBL4576077 0.80 S1PR1 (0.43) S1PR1S1PR3PPARAABCB11CYP1A2
SCHEMBL4575174 0.77 PPARA (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4575170 0.77 PPARA (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4575638 0.75 PPARA (0.36) S1PR1S1PR3PPARAPPARGPPARD
SCHEMBL6693675 0.70 S1PR1 (0.43) S1PR1S1PR3PPARAPPARGDAGLA
SCHEMBL14555317 0.69 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL4576143 0.68 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL4576139 0.68 PPARA (0.43) PPARAPPARGPPARD

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 4 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
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD S1PR1 1042/4885S1PR3 1081/4885PPARA 2/4885

“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.