SCHEMBL2825262

SCHEMBL2825262

COC(=O)CCc1ccc(OCc2ccc(Cn3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.50
MDM2 Q00987 4/20 0.50
FFAR1 O14842 6/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
FFAR4 Q5NUL3 2/20 0.46
PDE5A O76074 1/20 0.46
GCGR P47871 2/20 0.46
AKR1B1 P15121 1/20 0.46
VDR P11473 1/20 0.46
PPARD Q03181 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44

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
SCHEMBL2824425 0.92 FFAR1 (0.49) FFAR1MEN1KMT2AFFAR4PDE5A
SCHEMBL2828470 0.90 FFAR1 (0.62) TP53MDM2FFAR1FFAR4AKR1B1
SCHEMBL3632806 0.84 FFAR1 (0.49) TP53MDM2FFAR1MEN1KMT2A
SCHEMBL2830042 0.82 FFAR1 (0.61) FFAR1FFAR4AKR1B1PTGDR2
SCHEMBL2826545 0.81 FFAR1 (0.61) FFAR1FFAR4AKR1B1PTGDR2
SCHEMBL1744673 0.80 FFAR1 (0.74) FFAR1FFAR4AKR1B1
SCHEMBL2824851 0.80 FFAR1 (0.58) FFAR1FFAR4AKR1B1PPARDPTGDR2
SCHEMBL2824124 0.80 FFAR1 (0.60) FFAR1FFAR4AKR1B1PPARD
SCHEMBL2822600 0.79 FFAR1 (0.48) FFAR1KMT2APTGS2FFAR4AKR1B1
SCHEMBL2824088 0.79 PTGDR2 (0.45) FFAR1FFAR4GCGRPPARDPTGDR2

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 TP53 2474/4885MDM2 2466/4885FFAR1 2/4885

“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.