SCHEMBL4694877

SCHEMBL4694877

C=CCn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCc1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.68
PPARG P37231 13/20 0.68
PPARD Q03181 8/20 0.68
EPHX2 P34913 3/20 0.42
NR1H4 Q96RI1 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL4688939 0.90 PPARA (0.79) PPARAPPARGPPARD
SCHEMBL4695991 0.90 PPARG (0.84) PPARAPPARGPPARD
SCHEMBL4787025 0.87 PPARA (0.80) PPARAPPARGPPARDEPHX2NR1H4
SCHEMBL4694880 0.85 PPARG (0.67) PPARAPPARGPPARDEPHX2NR1H4
SCHEMBL2812116 0.81 PPARG (1.00) PPARAPPARGPPARD
SCHEMBL4692439 0.80 PPARG (0.84) PPARAPPARGPPARD
SCHEMBL4688206 0.80 PPARG (0.72) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL4688952 0.78 PPARG (0.65) PPARAPPARGPPARDRAB9A
SCHEMBL4689778 0.78 PPARG (0.84) PPARAPPARGPPARD
SCHEMBL4693223 0.78 PPARG (0.55) PPARAPPARGPPARDL3MBTL1MEN1

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 PPARA 2/4885PPARG 3/4885PPARD 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.