SCHEMBL2298241

SCHEMBL2298241

COc1nc(-c2ccccc2)ccc1CNc1ccc(OCC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
PTPN7 P35236 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN12 Q05209 1/20 0.46
ACACA Q13085 1/20 0.45
CD274 Q9NZQ7 7/20 0.45
PDCD1 Q15116 5/20 0.45
PDCD1LG2 Q9BQ51 2/20 0.42
HIF1A Q16665 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 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
SCHEMBL2303370 0.89 PTGER2 (0.53) FFAR1MAPTMEN1KMT2ACD274
SCHEMBL14931891 0.89 FFAR1 (0.48) FFAR1ALDH1A1MAPTMEN1PTPN7
SCHEMBL2300943 0.85 ALDH1A1 (0.50) FFAR1ALDH1A1MAPTMEN1PTPN7
SCHEMBL2299927 0.84 CD274 (0.45) FFAR1ALDH1A1CD274PDCD1PDCD1LG2
SCHEMBL2300364 0.83 PPARA (0.56) MAPTCD274PDCD1PDCD1LG2HIF1A
SCHEMBL2303818 0.83 CYP1A2 (0.48) KMT2ACD274PDCD1PDCD1LG2HIF1A
SCHEMBL2301629 0.83 FFAR1 (0.58) FFAR1CD274PDCD1TDP1
SCHEMBL2300745 0.82 FFAR1 (0.47) FFAR1ALDH1A1MAPTCD274PDCD1
SCHEMBL2299433 0.82 CD274 (0.48) FFAR1MEN1KMT2ACD274PDCD1
SCHEMBL2300665 0.81 FFAR1 (0.49) FFAR1CD274PDCD1PDCD1LG2

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 FFAR1 10/4885ALDH1A1 1483/4885MAPT 4551/4885

“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.