SCHEMBL4576337

SCHEMBL4576337

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.44
PPARG P37231 15/20 0.43
PPARD Q03181 7/20 0.43
ALDH1A1 P00352 1/20 0.40
FABP2 P12104 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4575079 0.89 PPARA (0.51) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL4575576 0.89 PPARA (0.50) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575971 0.89 PPARA (0.45) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL4575391 0.89 PPARA (0.45) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL4575771 0.87 PPARG (0.50) PPARAPPARGPPARD
SCHEMBL4575199 0.87 PPARA (0.46) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575340 0.86 PPARA (0.50) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575353 0.86 PPARA (0.50) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575828 0.86 PPARA (0.47) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575129 0.86 PPARA (0.44) 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 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 2/4885PPARG 1/4885PPARD 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.