SCHEMBL2298014

SCHEMBL2298014

COc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CNc1ccc(SCC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.41
GCGR P47871 4/20 0.40
FRK P42685 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 2/20 0.38
GAA P10253 1/20 0.37
STK17B O94768 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTTP P55157 1/20 0.37
PPARG P37231 2/20 0.37

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
SCHEMBL2300745 0.88 FFAR1 (0.47) FFAR1ALDH1A1MAPTGAA
SCHEMBL2297702 0.86 SLC22A12 (0.41) FFAR1GCGRFRKCAMK2BCAMK2G
SCHEMBL2302122 0.84 FFAR1 (0.59) FFAR1GCGRPPARDPPARAPPARG
SCHEMBL14931920 0.78 PPARD (0.39) KDM4EALDH1A1GLAMAPTPPARD
SCHEMBL2298721 0.78 POLB (0.43) FFAR1KDM4EALDH1A1MAPTGAA
SCHEMBL2302621 0.78 CD274 (0.42)
SCHEMBL2305001 0.75 CD274 (0.45) PPARDPPARAPPARG
SCHEMBL2298839 0.73 FFAR1 (0.58) FFAR1GCGR
SCHEMBL12427069 0.72 TRPV3 (0.45)
SCHEMBL2297449 0.72 FFAR1 (0.47) FFAR1ALDH1A1MAPTGAA

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 10/4885GCGR 15/4885FRK 2788/4885

“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.