SCHEMBL5139906

SCHEMBL5139906

C=CCc1c(OC(C)(C)C(=O)O)cc(C(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nn2C)c(N)c1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.52
PPARA Q07869 16/20 0.52
PPARD Q03181 9/20 0.52
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5139904 0.80 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL2807596 0.73 PPARG (0.76) PPARGPPARAPPARD
SCHEMBL2807632 0.68 PPARA (1.00) PPARGPPARAPPARD
SCHEMBL4688310 0.67 KDM4E (0.55) PPARGPPARAPPARDMAPTXBP1
SCHEMBL4688874 0.67 PPARG (0.84) PPARGPPARAPPARD
SCHEMBL2806259 0.66 PPARG (0.80) PPARGPPARAPPARD
SCHEMBL4688952 0.66 PPARG (0.65) PPARGPPARAPPARDRAB9A
SCHEMBL2808248 0.66 PPARA (1.00) PPARGPPARAPPARD
SCHEMBL4692482 0.66 MAPT (0.56) PPARGPPARAPPARDMAPTMEN1
SCHEMBL2812116 0.65 PPARG (1.00) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG PPARG 3/4885PPARA 2/4885PPARD 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.