SCHEMBL4693200

SCHEMBL4693200

CCCCc1ccc(-c2cc(C(=O)NCc3cc(C)c(OC(C)(C)C(=O)OCC)c(C)c3)nn2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.55
PPARA Q07869 12/20 0.55
PPARD Q03181 6/20 0.55
MMP13 P45452 4/20 0.45
MMP14 P50281 2/20 0.45
AURKA O14965 1/20 0.45
MMP2 P08253 1/20 0.45
MMP10 P09238 1/20 0.45
MMP9 P14780 1/20 0.45
PRKACA P17612 1/20 0.45
DRD5 P21918 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
PRKAA1 Q13131 1/20 0.45

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
SCHEMBL4693382 0.95 PPARG (0.53) PPARGPPARAPPARDMMP13MMP14
SCHEMBL14144777 0.92 PPARG (0.54) PPARGPPARAPPARDMMP13MMP14
SCHEMBL2804684 0.92 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL4693407 0.91 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL4692671 0.89 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL4694804 0.88 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL4688870 0.84 PPARG (0.65) PPARGPPARAPPARDMMP13MMP14
SCHEMBL4689724 0.82 PPARG (0.81) PPARGPPARAPPARD
SCHEMBL14145129 0.81 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL14144773 0.81 PPARG (0.84) 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 4 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
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.