SCHEMBL2804704

SCHEMBL2804704

CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 1.00
FAAH O00519 1/20 0.42
PPARA Q07869 6/20 0.42
PPARD Q03181 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL2809044 0.95 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2812228 0.95 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2805810 0.95 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2804992 0.94 PPARG (0.88) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL2807152 0.93 PPARG (0.92) PPARGFAAHPPARAPPARD
SCHEMBL2804750 0.92 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL2804677 0.92 PPARG (0.91) PPARGPPARAPPARD
SCHEMBL2805063 0.92 PPARG (0.91) PPARGFAAHPPARAPPARD
SCHEMBL2804633 0.92 PPARG (0.91) PPARGPPARAPPARD
SCHEMBL2806780 0.91 PPARG (0.92) PPARGPPARA

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 5 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

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 3/4885FAAH 2484/4885PPARA 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.