SCHEMBL2808920

SCHEMBL2808920

CCOC(=O)C(C)(Cc1ccc(Oc2cc(Cl)nc(N)n2)cc1)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PPARA Q07869 2/20 0.46
OPRK1 P41145 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 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
SCHEMBL2806368 0.85 LMNA (0.52) PPARGSMN1; SMN2ALDH1A1PPARAOPRK1
SCHEMBL2806027 0.83 PPARG (0.84) PPARGALDH1A1PPARA
SCHEMBL2809038 0.83 PPARG (0.84) PPARGALDH1A1PPARA
SCHEMBL2811651 0.83 PPARG (0.84) PPARGALDH1A1PPARA
SCHEMBL2809240 0.83 PPARG (0.69) PPARGSMN1; SMN2RAB9AALDH1A1PPARA
SCHEMBL2807754 0.78 PPARG (0.70) PPARGALDH1A1PPARA
SCHEMBL2804981 0.75 OPRK1 (0.51) PPARGALDH1A1PPARAOPRK1
SCHEMBL5116975 0.75 OPRK1 (0.51) PPARGALDH1A1PPARAOPRK1
SCHEMBL5118505 0.75 OPRK1 (0.51) PPARGALDH1A1PPARAOPRK1
SCHEMBL2804812 0.75 PPARG (0.69) 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 3 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-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 3/4885SMN1; SMN2 4849/4885RAB9A 3767/4885

“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.