SCHEMBL2826434

SCHEMBL2826434

O=C(CCc1ccc(OCc2ccc(CN3CCCC3Cc3ccccc3)cc2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.52
SPHK2 Q9NRA0 10/20 0.52
HRH3 Q9Y5N1 4/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL2824092 0.93 SPHK1 (0.52) SPHK1SPHK2HRH3MAOAMAOB
Trifluoroacetic Acid SCHEMBL2826431 0.89 FFAR1 (0.55) SPHK1SPHK2HRH3
SCHEMBL2822644 0.87 OPRM1 (0.48) SPHK1SPHK2HRH3MAOAMAOB
SCHEMBL13887161 0.86 FFAR1 (0.60) SPHK1SPHK2HRH3
SCHEMBL2827471 0.83 HRH3 (0.44) SPHK1HRH3MAOAMAOB
SCHEMBL2827661 0.83 HRH3 (0.42) SPHK1SPHK2HRH3MAOAMAOB
SCHEMBL2824720 0.83 HRH3 (0.42) SPHK1SPHK2HRH3MAOAMAOB
Trifluoroacetic Acid SCHEMBL2824089 0.82 FFAR1 (0.55) SPHK1SPHK2HRH3LTA4HEPHX2
SCHEMBL2823889 0.79 LTA4H (0.65) HRH3NPC1RAB9ALTA4HEPHX2
SCHEMBL2827613 0.79 LTA4H (0.53) HRH3NPC1RAB9ALTA4HEPHX2

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 5 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-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 SPHK1 839/4885SPHK2 1435/4885HRH3 1315/4885

“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.