SCHEMBL2807698

SCHEMBL2807698

CC(Cc1ccc(Oc2cc(N3CCN(Cc4cccc(Br)c4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.87
POLB P06746 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
PPARA Q07869 2/20 0.39
KDM4E B2RXH2 1/20 0.38
DRD4 P21917 1/20 0.38
FAAH O00519 2/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL2804633 0.93 PPARG (0.91) PPARGHRH4PPARAPPARD
SCHEMBL2804644 0.93 PPARG (0.91) PPARGKDM4EFAAH
SCHEMBL2805810 0.93 PPARG (1.00) PPARGHRH4PPARAPPARD
SCHEMBL2812228 0.93 PPARG (1.00) PPARGHRH4PPARAPPARD
SCHEMBL2809044 0.93 PPARG (1.00) PPARGHRH4PPARAPPARD
SCHEMBL2804803 0.92 PPARG (1.00) PPARGHRH4PPARAKDM4EPPARD
SCHEMBL2804759 0.91 PPARG (0.87) PPARGHRH4PPARAKDM4E
SCHEMBL2804718 0.91 PPARG (0.89) PPARGPPARA
SCHEMBL2810933 0.90 PPARG (1.00) PPARGPPARAKDM4EDRD4FAAH
SCHEMBL2807152 0.89 PPARG (0.92) PPARGHRH4PPARAFAAHPPARD

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 3/4885POLB 501/4885HRH4 1982/4885

“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.