SCHEMBL2301181

SCHEMBL2301181

COc1nc(-c2ccccc2)ccc1CNc1cccc(OC(C)(C)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.55
PPARG P37231 4/20 0.55
PPARD Q03181 2/20 0.55
CD274 Q9NZQ7 13/20 0.43
PDCD1 Q15116 8/20 0.43
PDCD1LG2 Q9BQ51 5/20 0.43
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 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
SCHEMBL2300364 0.89 PPARA (0.56) PPARAPPARGPPARDCD274PDCD1
SCHEMBL2303370 0.84 PTGER2 (0.53) PPARAPPARGPPARDCD274PDCD1
SCHEMBL2299902 0.81 PPARA (0.56) PPARAPPARGPPARDMEN1MAPT
SCHEMBL2304741 0.77 PPARG (0.51) PPARAPPARGPPARDMAPTMAPK1
SCHEMBL2305001 0.76 CD274 (0.45) PPARAPPARGPPARDCD274PDCD1
SCHEMBL2298241 0.74 FFAR1 (0.48) PPARGPPARDCD274PDCD1PDCD1LG2
SCHEMBL14931940 0.74 MTNR1A (0.39) PPARAPPARGPPARDTP53MAPT
SCHEMBL2299400 0.74 FFAR1 (0.46) CD274PDCD1PDCD1LG2SMN1; SMN2GAA
SCHEMBL2302621 0.73 CD274 (0.42) CD274PDCD1PDCD1LG2
SCHEMBL2303818 0.73 CYP1A2 (0.48) PPARAPPARGCD274PDCD1PDCD1LG2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461183-B2 PPAR agonist compounds, preparation and uses GENFIT (FR) 2013-06-11 US claimed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP claimed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 US claimed
WO-2016149299-A1 THERAPEUTIC COMPOUNDS THAT SUPPRESS PROTEIN ARGININE METHYLTRANSFERASE ACTIVITY FOR REDUCING TUMOR CELL PROLIFERATION EPINOVA THERAPEUTICS CORP. (US) 2016-09-22 WO disclosed
US-20160271149-A1 THERAPEUTIC COMPOUNDS THAT SUPPRESS PROTEIN ARGININE METHYLTRANSFERASE ACTIVITY FOR REDUCING TUMOR CELL PROLIFERATION EPINOVA THERAPEUTICS CORP. 2016-09-22 US disclosed
US-8461183-B2 PPAR agonist compounds, preparation and uses GENFIT (FR) 2013-06-11 US disclosed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP disclosed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 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-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PPARD 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.