SCHEMBL2300745

SCHEMBL2300745

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
CD274 Q9NZQ7 12/20 0.44
PDCD1 Q15116 8/20 0.44
PDCD1LG2 Q9BQ51 4/20 0.42
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39
PABPC1 P11940 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL2298014 0.88 FFAR1 (0.41) FFAR1GAAALDH1A1MAPT
SCHEMBL2298721 0.85 POLB (0.43) FFAR1CD274PDCD1LG2GAAALDH1A1
SCHEMBL2305001 0.83 CD274 (0.45) CD274PDCD1PDCD1LG2HIF1A
SCHEMBL2302621 0.82 CD274 (0.42) CD274PDCD1PDCD1LG2HIF1A
SCHEMBL2297449 0.82 FFAR1 (0.47) FFAR1CD274PDCD1PDCD1LG2GAA
SCHEMBL2298241 0.82 FFAR1 (0.48) FFAR1CD274PDCD1PDCD1LG2LMNA
SCHEMBL2301629 0.82 FFAR1 (0.58) FFAR1CD274PDCD1
SCHEMBL2301881 0.82 FFAR1 (0.46) FFAR1CD274PDCD1LG2GAALMNA
SCHEMBL2302843 0.82 CD274 (0.46) CD274PDCD1PDCD1LG2LMNAALDH1A1
SCHEMBL2299433 0.81 CD274 (0.48) FFAR1CD274PDCD1PDCD1LG2CYP2C9

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.