SCHEMBL2299433

SCHEMBL2299433

COc1nc(-c2ccccc2)ccc1CNc1ccc(C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 15/20 0.48
PDCD1LG2 Q9BQ51 8/20 0.48
PDCD1 Q15116 7/20 0.46
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FFAR1 O14842 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL2300665 0.91 FFAR1 (0.49) CD274PDCD1LG2PDCD1FFAR1
SCHEMBL2301629 0.82 FFAR1 (0.58) CD274PDCD1FFAR1
SCHEMBL2298241 0.82 FFAR1 (0.48) CD274PDCD1LG2PDCD1HIF1AMEN1
SCHEMBL2302843 0.82 CD274 (0.46) CD274PDCD1LG2PDCD1HIF1ALMNA
SCHEMBL2300745 0.81 FFAR1 (0.47) CD274PDCD1LG2PDCD1HIF1ALMNA
SCHEMBL2303818 0.80 CYP1A2 (0.48) CD274PDCD1LG2PDCD1HIF1ACYP1A2
SCHEMBL2300364 0.78 PPARA (0.56) CD274PDCD1LG2PDCD1HIF1ACYP2C9
SCHEMBL2299400 0.77 FFAR1 (0.46) CD274PDCD1LG2PDCD1HIF1AFFAR1
SCHEMBL2305001 0.77 CD274 (0.45) CD274PDCD1LG2PDCD1HIF1A
SCHEMBL2302621 0.76 CD274 (0.42) CD274PDCD1LG2PDCD1HIF1A

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 CD274 2428/4885PDCD1LG2 2226/4885PDCD1 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.