SCHEMBL2824088

SCHEMBL2824088

COC(=O)CCc1ccc(OCc2ccc(Cn3nc(-c4ccc(C(F)(F)F)cc4)cc3/C=C/c3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.45
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 2/20 0.43
SLC6A5 Q9Y345 1/20 0.41
YAP1 P46937 1/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
GCGR P47871 4/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL2824091 1.00 PTGDR2 (0.45) PTGDR2FFAR1FFAR4SLC6A5YAP1
SCHEMBL2827695 0.92 FFAR1 (0.52) PTGDR2FFAR1FFAR4PPARGPPARD
SCHEMBL2827698 0.92 FFAR1 (0.52) PTGDR2FFAR1FFAR4PPARGPPARD
SCHEMBL2824425 0.79 FFAR1 (0.49) PTGDR2FFAR1FFAR4PPARGPPARD
SCHEMBL2825262 0.79 TP53 (0.50) PTGDR2FFAR1FFAR4PPARDGCGR
SCHEMBL2824770 0.77 FFAR1 (0.55) PTGDR2FFAR1FFAR4PPARGPPARD
SCHEMBL18002977 0.75 MAOB (0.63) FFAR1FFAR4SLC6A5PPARGPPARD
SCHEMBL3630656 0.73 FFAR1 (0.48) PTGDR2FFAR1FFAR4HDAC1HDAC3
SCHEMBL1745469 0.72 FFAR1 (0.60) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL1744729 0.72 FFAR1 (0.56) FFAR1FFAR4PPARGPPARA

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 PTGDR2 712/4885FFAR1 2/4885FFAR4 6/4885

“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.