SCHEMBL2299400

SCHEMBL2299400

COc1cc(NCc2ccc(-c3ccccc3)nc2OC)ccc1CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.46
CD274 Q9NZQ7 8/20 0.44
PDCD1 Q15116 6/20 0.44
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA2B P08514 2/20 0.43
FFAR4 Q5NUL3 4/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDCD1LG2 Q9BQ51 2/20 0.41
ITGB1 P05556 1/20 0.40
ITGB5 P18084 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HIF1A Q16665 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
SCHEMBL2301629 0.86 FFAR1 (0.58) FFAR1CD274PDCD1FFAR4TDP1
SCHEMBL2297997 0.82 FFAR1 (0.47) FFAR1CD274PDCD1FFAR4PDCD1LG2
SCHEMBL2298241 0.78 FFAR1 (0.48) FFAR1CD274PDCD1ALDH1A1TDP1
SCHEMBL2303370 0.78 PTGER2 (0.53) FFAR1CD274PDCD1SMN1; SMN2PDCD1LG2
SCHEMBL2299927 0.78 CD274 (0.45) FFAR1CD274PDCD1ALDH1A1GAA
SCHEMBL2300745 0.77 FFAR1 (0.47) FFAR1CD274PDCD1ALDH1A1GAA
SCHEMBL2299433 0.77 CD274 (0.48) FFAR1CD274PDCD1PDCD1LG2HIF1A
SCHEMBL14932000 0.77 FFAR1 (0.40) FFAR1CD274PDCD1ITGB3ITGAV
SCHEMBL2298839 0.76 FFAR1 (0.58) FFAR1FFAR4
SCHEMBL2299708 0.76 FFAR1 (0.56) FFAR1FFAR4TDP1

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 10/4885CD274 2428/4885PDCD1 2976/4885

“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.