SCHEMBL4689549

SCHEMBL4689549

CCCC(C)(Oc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nn2CCc2ccccc2)ccc1C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.59
PPARA Q07869 14/20 0.59
PPARD Q03181 8/20 0.59
ALPL P05186 1/20 0.43
PHGDH O43175 1/20 0.41

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
SCHEMBL4688943 0.90 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL4689545 0.87 PPARG (0.62) PPARGPPARAPPARDALPL
SCHEMBL4692287 0.87 PPARA (0.71) PPARGPPARAPPARDALPL
SCHEMBL4694582 0.85 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL4695140 0.78 PPARG (0.68) PPARGPPARAPPARDPHGDH
SCHEMBL4690033 0.78 PPARG (0.83) PPARGPPARAPPARD
SCHEMBL4750583 0.77 PPARG (0.67) PPARGPPARAPPARDPHGDH
SCHEMBL4694880 0.76 PPARG (0.67) PPARGPPARAPPARDPHGDH
SCHEMBL4692283 0.75 PPARG (0.73) PPARGPPARAPPARD
SCHEMBL4693664 0.75 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 2 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

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.