SCHEMBL2303370

SCHEMBL2303370

COc1nc(-c2ccccc2)ccc1CNc1cccc(OCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 1/20 0.53
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 2/20 0.46
CD274 Q9NZQ7 8/20 0.45
PDCD1 Q15116 6/20 0.45
FFAR1 O14842 2/20 0.43
NPC1 O15118 1/20 0.43
PDCD1LG2 Q9BQ51 2/20 0.43
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL2298241 0.89 FFAR1 (0.48) LMNAMAPK1CD274PDCD1FFAR1
SCHEMBL2301181 0.84 PPARA (0.55) MAPK1CD274PDCD1PDCD1LG2MEN1
SCHEMBL2299927 0.84 CD274 (0.45) PTGER2CD274PDCD1FFAR1PDCD1LG2
SCHEMBL2300943 0.78 ALDH1A1 (0.50) LMNAMAPK1FFAR1NPC1MEN1
SCHEMBL14931891 0.78 FFAR1 (0.48) PTGER2LMNAFFAR1NPC1MEN1
SCHEMBL2299400 0.78 FFAR1 (0.46) CD274PDCD1FFAR1PDCD1LG2SMN1; SMN2
SCHEMBL2301629 0.76 FFAR1 (0.58) CD274PDCD1FFAR1
SCHEMBL2299433 0.75 CD274 (0.48) HTTLMNACD274PDCD1FFAR1
SCHEMBL2300745 0.75 FFAR1 (0.47) LMNACD274PDCD1FFAR1PDCD1LG2
SCHEMBL14932027 0.74 LMNA (0.47) PKMHTTLMNAMAPK1TP53

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 7 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
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 PTGER2 319/4885PKM 852/4885HTT 2906/4885

“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.