SCHEMBL2247448

SCHEMBL2247448

CCCC1CCc2cc(C3(c4ccc(C(=O)NCCC(=O)O)cc4)CCC(C(F)(F)F)CC3)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.38
FFAR1 O14842 3/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
GCGR P47871 14/20 0.37
GIPR P48546 1/20 0.35
AKR1C3 P42330 1/20 0.35
GLP1R P43220 1/20 0.35

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
SCHEMBL2244947 0.87 FFAR4 (0.37) FFAR4FFAR1ITGB3ITGA2B
SCHEMBL2250845 0.85 FFAR4 (0.39) FFAR4FFAR1ITGB3ITGA2B
SCHEMBL9071255 0.82 GCGR (0.39) GCGRGLP1R
SCHEMBL2251858 0.77 GCGR (0.42) GCGRGLP1R
SCHEMBL2243304 0.75 GCGR (0.41) GCGRGLP1R
SCHEMBL2666850 0.74 GCGR (0.38) GCGRGLP1R
SCHEMBL2246282 0.74 ENPP2 (0.38) GCGRGLP1R
SCHEMBL2667093 0.73 GCGR (0.43) GCGRGIPRGLP1R
SCHEMBL12357029 0.73 GCGR (0.45) GCGRGIPRGLP1R
SCHEMBL2250936 0.72 GCGR (0.45) GCGRGIPRGLP1R

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-20170143673-A1 Methods For Treating Heart Failure Using Glucagon Receptor Antagonists REMD Biotherapeutics, Inc 2017-05-25 US disclosed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
WO-2007111864-A2 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2007-10-04 WO 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 (2 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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 FFAR4 107/4885FFAR1 132/4885ITGB3 3324/4885
US-20170143673-A1 Methods For Treating Heart Failure Using Glucagon Receptor Antagonists GLP1R, GCGR, GIPR FFAR4 193/4885FFAR1 220/4885ITGB3 990/4885

“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.