SCHEMBL2828440

SCHEMBL2828440

O=C(O)CCc1ccc(OCc2ccc(CN3CCC(Oc4ccccc4Cl)CC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
FFAR1 O14842 10/20 0.55
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FFAR4 Q5NUL3 2/20 0.54
HRH3 Q9Y5N1 2/20 0.53
LTA4H P09960 1/20 0.52
EPHX2 P34913 1/20 0.52
S1PR5 Q9H228 1/20 0.50

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
SCHEMBL2828226 0.89 FFAR1 (0.55) NPC1RAB9AFFAR1TP53SMN1; SMN2
SCHEMBL2824000 0.89 FFAR1 (0.61) NPC1RAB9AFFAR1TP53SMN1; SMN2
SCHEMBL2827628 0.88 FFAR1 (0.54) NPC1RAB9AFFAR1TP53SMN1; SMN2
SCHEMBL2826986 0.81 HRH3 (0.61) NPC1RAB9AFFAR1TP53SMN1; SMN2
SCHEMBL2827010 0.80 FFAR1 (0.52) NPC1RAB9AFFAR1TP53SMN1; SMN2
SCHEMBL13887164 0.79 LTA4H (0.61) NPC1RAB9AFFAR1TP53SMN1; SMN2
SCHEMBL13065796 0.79 LTA4H (0.61) NPC1RAB9AFFAR1TP53SMN1; SMN2
SCHEMBL4119205 0.78 SMN1; SMN2 (0.65) SMN1; SMN2HRH3
SCHEMBL2827371 0.78 FFAR4 (0.57) FFAR1FFAR4
SCHEMBL2828343 0.77 FFAR1 (0.55) NPC1RAB9AFFAR1TP53SMN1; 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 NPC1 1092/4885RAB9A 3353/4885FFAR1 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.