SCHEMBL2826570

SCHEMBL2826570

COC(=O)CCc1ccc(OCc2ccc(Cn3nc(-c4ccccc4)cc3-c3ccccc3)c(OC(C)C)c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 2/20 0.41
PPARG P37231 9/20 0.41
PPARD Q03181 9/20 0.41
PPARA Q07869 8/20 0.41
PDE5A O76074 1/20 0.38
MCTS1 Q9ULC4 1/20 0.37
S1PR1 P21453 3/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
S1PR5 Q9H228 1/20 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
SCHEMBL2827000 0.93 FFAR1 (0.51) FFAR1PPARGPPARDPPARAFFAR4
SCHEMBL2827647 0.92 FFAR1 (0.51) FFAR1PPARGPPARDPPARAFFAR4
SCHEMBL2827649 0.91 FFAR1 (0.43) FFAR1SLC16A3SLC16A1PPARGPPARD
SCHEMBL2824149 0.86 FFAR1 (0.43) FFAR1SLC16A3SLC16A1PPARDFFAR4
SCHEMBL2824961 0.85 FFAR1 (0.50) FFAR1FFAR4
SCHEMBL2828508 0.84 FFAR1 (0.49) FFAR1FFAR4
SCHEMBL2828511 0.83 FFAR1 (0.42) FFAR1SLC16A3SLC16A1MCTS1FFAR4
SCHEMBL2825262 0.77 TP53 (0.50) FFAR1PPARDPDE5AFFAR4PTGS1
SCHEMBL3625767 0.76 FFAR1 (0.44) FFAR1FFAR4
SCHEMBL2824397 0.76 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1

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 9 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-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 2/4885SLC16A3 124/4885SLC16A1 58/4885

“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.