SCHEMBL4575561

SCHEMBL4575561

CC(C)c1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccnc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.46
PPARA Q07869 7/20 0.46
PPARD Q03181 4/20 0.46
LMNA P02545 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TBXAS1 P24557 2/20 0.41
ADRB3 P13945 3/20 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
SCHEMBL4575823 0.89 PPARG (0.45) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL4575252 0.82 PPARG (0.52) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL4575771 0.80 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL4575733 0.78 PPARA (0.46) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL4575576 0.78 PPARA (0.50) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL4576167 0.76 PPARA (0.42) PPARGPPARAPPARD
SCHEMBL4576122 0.76 PPARA (0.56) PPARGPPARAPPARD
SCHEMBL11063546 0.75 PPARA (0.56) PPARGPPARATBXAS1
SCHEMBL4575129 0.75 PPARA (0.44) PPARGPPARAPPARD
SCHEMBL4575605 0.75 PPARA (0.48) PPARGPPARAPPARDADRB3

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 PPARG 1/4885PPARA 2/4885PPARD 3/4885

“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.