SCHEMBL4689976

SCHEMBL4689976

C=CCOc1ccc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nn2C)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.71
PPARA Q07869 9/20 0.71
PPARD Q03181 7/20 0.71
PHGDH O43175 1/20 0.52
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
NR1H4 Q96RI1 6/20 0.47
EPHX2 P34913 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4692410 0.83 PPARG (0.73) PPARGPPARAPPARDPHGDHNR1H4
SCHEMBL2808248 0.83 PPARA (1.00) PPARGPPARAPPARDPHGDH
SCHEMBL2806181 0.82 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL4694981 0.81 PPARG (0.64) PPARGPPARAPPARDPHGDH
SCHEMBL4691715 0.81 PPARG (0.60) PPARGPPARAPPARDPHGDHNR1H4
SCHEMBL4787025 0.80 PPARA (0.80) PPARGPPARAPPARDPHGDHMEN1
SCHEMBL4692771 0.78 PPARG (0.56) PPARGPPARAPPARDPHGDHALDH1A1
SCHEMBL2807596 0.78 PPARG (0.76) PPARGPPARAPPARDPHGDH
SCHEMBL4688939 0.77 PPARA (0.79) PPARGPPARAPPARD
SCHEMBL4688952 0.75 PPARG (0.65) PPARGPPARAPPARDPHGDHRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
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.