SCHEMBL2804750

SCHEMBL2804750

CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.88
PPARA Q07869 4/20 0.51
PPARD Q03181 3/20 0.51
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL2804992 0.98 PPARG (0.88) PPARGPPARAPPARDCASP1CASP4
SCHEMBL2805810 0.94 PPARG (1.00) PPARGPPARAPPARDCASP1CASP4
SCHEMBL2809044 0.94 PPARG (1.00) PPARGPPARAPPARDCASP1CASP4
SCHEMBL2812228 0.94 PPARG (1.00) PPARGPPARAPPARDCASP1CASP4
SCHEMBL2810933 0.93 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2804704 0.92 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2806780 0.91 PPARG (0.92) PPARGPPARACASP1CASP4CASP5
SCHEMBL2807662 0.91 PPARG (0.92) PPARGPPARA
SCHEMBL2808929 0.91 PPARG (0.92) PPARGPPARASIGMAR1
SCHEMBL2804677 0.91 PPARG (0.91) PPARGPPARAPPARDCASP1CASP4

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 3/4885PPARA 1/4885PPARD 2/4885

“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.