SCHEMBL2828536

SCHEMBL2828536

COC(=O)c1ccc(COc2cc(C(C)(C)C)nn2Cc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
RAB9A P51151 3/20 0.53
FAAH O00519 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 1/20 0.46
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 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
SCHEMBL2829966 0.96 GRN (0.53) GAARAB9AMEN1KMT2AALDH1A1
SCHEMBL2826557 0.86 GAA (0.49) GAARAB9AFAAHMEN1KMT2A
SCHEMBL3631892 0.83 GAA (0.57) GAARAB9AFAAHMEN1KMT2A
SCHEMBL3630181 0.83 GAA (0.57) GAARAB9AFAAHMEN1KMT2A
SCHEMBL13226116 0.82 RAB9A (0.51) GAARAB9AFAAHMEN1KMT2A
SCHEMBL2825530 0.79 HTR2A (0.54) GAAALDH1A1GRNSORT1NPSR1
SCHEMBL3624367 0.76 GRN (0.54) GAARAB9AFAAHMEN1KMT2A
SCHEMBL5111923 0.73 HTR2A (0.60) GAAALDH1A1MAPTHTR2AHTR2C
SCHEMBL13067590 0.72 LOXL2 (0.61) GAARAB9AMEN1KMT2AALDH1A1
SCHEMBL28519475 0.70 HDAC3 (0.77) GAARAB9AFAAHMEN1KMT2A

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 12 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-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 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-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 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
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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 (2 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 GAA 1246/4885RAB9A 3353/4885FAAH 592/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 GAA 2831/4885RAB9A 2933/4885FAAH 871/4885

“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.