SCHEMBL2827644

SCHEMBL2827644

O=C(CCc1ccc(OCc2ccc(CN3CCCCc4nc(-c5ccc(-c6ccccc6)cc5)sc43)cc2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.42
HRH3 Q9Y5N1 8/20 0.40
PPARD Q03181 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EPHX2 P34913 1/20 0.37
FFAR4 Q5NUL3 4/20 0.36
FAAH O00519 1/20 0.36
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 0.36
AKR1B1 P15121 1/20 0.36
GRM5 P41594 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL2827640 0.91 FFAR1 (0.52) FFAR1HRH3PPARDPPARGPPARA
SCHEMBL13065705 0.88 FFAR1 (0.56) FFAR1HRH3PPARDPPARGPPARA
SCHEMBL2824120 0.86 HRH3 (0.37) FFAR1HRH3PPARDPPARGPPARA
SCHEMBL2823222 0.85 FFAR4 (0.45) FFAR1HRH3FFAR4S1PR5
Trifluoroacetic Acid SCHEMBL2824116 0.78 PPARG (0.43) FFAR1HRH3PPARDPPARGPPARA
Trifluoroacetic Acid SCHEMBL2824704 0.77 FFAR1 (0.39) FFAR1HRH3PPARDPPARGPPARA
Trifluoroacetic Acid SCHEMBL2823219 0.77 FFAR4 (0.52) FFAR1HRH3FFAR4
SCHEMBL2827682 0.76 HDAC1 (0.47) FFAR1HRH3FFAR4
SCHEMBL13894883 0.76 PPARG (0.42) FFAR1PPARDPPARGPPARAFFAR4
SCHEMBL13887166 0.75 FFAR1 (0.45) FFAR1HRH3PPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 EP 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 FFAR1 2/4885HRH3 1315/4885PPARD 53/4885

“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.