SCHEMBL2250845

SCHEMBL2250845

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 13/20 0.39
FFAR1 O14842 4/20 0.39
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 1/20 0.36
SGPL1 O95470 1/20 0.35
P2RY6 Q15077 1/20 0.34
GRM2 Q14416 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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 0.90 FFAR4 (0.37) FFAR4FFAR1S1PR1S1PR3SGPL1
SCHEMBL2247448 0.85 FFAR4 (0.38) FFAR4FFAR1ITGB3ITGA2B
SCHEMBL2244276 0.82 P2RY6 (0.34) P2RY6
SCHEMBL2244283 0.82 P2RY6 (0.34) P2RY6
SCHEMBL2250158 0.74 CA1 (0.51)
SCHEMBL2246402 0.74 RXRA (0.41)
SCHEMBL2247648 0.71 AR (0.36)
SCHEMBL2250878 0.70 P2RY6 (0.39) P2RY6
SCHEMBL2247705 0.69 HPGD (0.40) P2RY6
SCHEMBL2244057 0.69 STS (0.44)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 FFAR4 107/4885FFAR1 132/4885S1PR1 926/4885

“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.