SCHEMBL2823968

SCHEMBL2823968

O=C(O)CCc1ccc(OCc2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
FFAR1 O14842 7/20 0.58
FFAR4 Q5NUL3 2/20 0.58
HRH3 Q9Y5N1 4/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
USP2 O75604 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL2830781 0.85 FFAR1 (0.56) FFAR1FFAR4HRH3LMNAALDH1A1
SCHEMBL21171936 0.82 FFAR1 (0.64) FFAR1FFAR4HRH3LMNAALDH1A1
SCHEMBL10897508 0.81 KMT2A (0.64) LMNAALDH1A1POLBGAA
SCHEMBL2827832 0.80 FFAR1 (0.60) FFAR1FFAR4HRH3
SCHEMBL13065085 0.80 LTA4H (0.56) FFAR1FFAR4HRH3SMN1; SMN2TDP1
SCHEMBL13065687 0.80 FFAR1 (0.60) FFAR1FFAR4HRH3ALDH1A1SMN1; SMN2
SCHEMBL13887156 0.80 FFAR1 (0.60) FFAR1FFAR4HRH3ALDH1A1SMN1; SMN2
SCHEMBL21172122 0.78 FFAR1 (0.68) FFAR1FFAR4HRH3
SCHEMBL2822448 0.78 FFAR1 (0.61) FFAR1FFAR4HRH3
SCHEMBL2826986 0.78 HRH3 (0.61) FFAR1FFAR4HRH3SMN1; SMN2

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 L3MBTL1 3748/4885FFAR1 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.