SCHEMBL2808330

SCHEMBL2808330

COc1ccccc1CN1CCN(c2cc(Oc3ccc(CC(C)(Oc4ccccc4)C(=O)O)cc3)nc(N)n2)CC1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.81
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.40

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
SCHEMBL13126306 0.91 PPARG (0.84) PPARG
SCHEMBL2807347 0.90 PPARG (0.82) PPARG
SCHEMBL2812228 0.90 PPARG (1.00) PPARG
SCHEMBL2805810 0.90 PPARG (1.00) PPARG
SCHEMBL2809044 0.90 PPARG (1.00) PPARG
SCHEMBL2809827 0.89 PPARG (1.00) PPARGALDH1A1KDM4E
SCHEMBL2808929 0.89 PPARG (0.92) PPARGKMT2A
SCHEMBL2804677 0.88 PPARG (0.91) PPARG
SCHEMBL2807152 0.88 PPARG (0.92) PPARG
SCHEMBL2805063 0.87 PPARG (0.91) PPARGALDH1A1KDM4E

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 7 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
WO-2009046606-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2009-04-16 WO 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 3/4885MEN1 4723/4885KMT2A 3412/4885

“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.