SCHEMBL2826539

SCHEMBL2826539

O=C(O)CCc1c(F)cc(OCc2ccc(Cn3c(-c4ccccc4)cc4ccccc43)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.52
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
FFAR4 Q5NUL3 6/20 0.42
AKR1B1 P15121 1/20 0.42
PTGS2 P35354 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL2824867 0.90 FFAR1 (0.52) FFAR1ALDH1A1L3MBTL1FFAR4
SCHEMBL2824157 0.89 FFAR1 (0.45) FFAR1ALDH1A1L3MBTL1PTGS2KMT2A
SCHEMBL2828465 0.87 FFAR1 (0.61) FFAR1ALDH1A1L3MBTL1NR1H2NR1H3
SCHEMBL2829982 0.85 FFAR1 (0.56) FFAR1ALDH1A1NR1H2NR1H3FFAR4
SCHEMBL2824881 0.80 FFAR1 (0.62) FFAR1ALDH1A1FFAR4AKR1B1
SCHEMBL2822600 0.78 FFAR1 (0.48) FFAR1ALDH1A1L3MBTL1NR1H2NR1H3
SCHEMBL2825527 0.77 FFAR1 (0.53) FFAR1FFAR4
SCHEMBL2826893 0.74 FFAR1 (0.60) FFAR1FFAR4AKR1B1
SCHEMBL2828430 0.73 FFAR1 (0.48) FFAR1ALDH1A1NR1H2NR1H3FFAR4
SCHEMBL3631119 0.73 FFAR1 (0.61) FFAR1ALDH1A1L3MBTL1NR1H2NR1H3

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 10 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
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-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US 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
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 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 2/4885ALDH1A1 806/4885L3MBTL1 3748/4885

“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.