SCHEMBL4575153

SCHEMBL4575153

CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)c(F)c2)Cc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.40
PPARD Q03181 9/20 0.40
PPARG P37231 6/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.38
ABCB11 O95342 1/20 0.35
MGLL Q99685 1/20 0.34
CYP2C9 P11712 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
LMNA P02545 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL4575412 0.91 PPARD (0.46) PPARAPPARDPPARGPTGDR2CYP2C9
SCHEMBL4575187 0.91 PPARA (0.38) PPARAPPARDPPARGPTGDR2ABCB11
SCHEMBL4575149 0.87 PPARD (0.45) PPARAPPARDPPARGPTGDR2FFAR1
SCHEMBL4575837 0.87 PPARA (0.41) PPARAPPARDPPARGPTGDR2FFAR1
SCHEMBL4575436 0.85 PPARA (0.49) PPARAPPARDPPARGPTGDR2
SCHEMBL4575465 0.83 TSHR (0.42) PPARAPPARDPPARGS1PR1S1PR3
SCHEMBL4575158 0.82 PPARD (0.38) PPARAPPARDPPARGCYP2C9
SCHEMBL4575120 0.82 CYP1A2 (0.39) PPARAPPARDPPARGS1PR3S1PR5
SCHEMBL4574774 0.81 PTGDR2 (0.41) PPARAPPARDPPARGPTGDR2CYP2C9
SCHEMBL4574795 0.81 PPARG (0.38) PPARAPPARDPPARGCYP2C9

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 6 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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
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 PPARA 2/4885PPARD 3/4885PPARG 1/4885

“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.