SCHEMBL2808318

SCHEMBL2808318

CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(N3CCCCC3)n2)cc1)(Oc1ccccc1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.78
CASP1 P29466 7/20 0.54
CASP5 P51878 7/20 0.54
CASP4 P49662 6/20 0.54
PPARA Q07869 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
SCHEMBL2807024 0.99 PPARG (0.79) PPARGCASP1CASP5CASP4PPARA
SCHEMBL2807168 0.97 PPARG (0.83) PPARGCASP1CASP5CASP4PPARA
SCHEMBL2804707 0.93 PPARG (0.78) PPARGCASP1CASP5CASP4PPARA
SCHEMBL2808295 0.92 PPARG (0.76) PPARGCASP1CASP5CASP4PPARA
SCHEMBL2804581 0.92 PPARG (0.76) PPARGCASP1CASP5CASP4PPARA
SCHEMBL2805018 0.88 PPARG (0.83) PPARGCASP1CASP5CASP4PPARA
SCHEMBL2807357 0.88 PPARG (0.83) PPARGCASP1CASP5CASP4PPARA
SCHEMBL2812228 0.88 PPARG (1.00) PPARGCASP1CASP5CASP4PPARA
SCHEMBL2805810 0.88 PPARG (1.00) PPARGCASP1CASP5CASP4PPARA
SCHEMBL2809044 0.88 PPARG (1.00) PPARGCASP1CASP5CASP4PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 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-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARD, PPARG PPARG 3/4885CASP1 2838/4885CASP5 1352/4885

“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.