SCHEMBL2828535

SCHEMBL2828535

Cc1cccc(COc2cc(C(C)(C)C)nn2Cc2ccc(CO)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
ALOX5AP P20292 2/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
SLC6A4 P31645 4/20 0.38
GABRA1 P14867 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRA2 P47869 4/20 0.38
NPSR1 Q6W5P4 4/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 2/20 0.37
AGTR1 P30556 1/20 0.37

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
SCHEMBL2826557 0.86 GAA (0.49) GRNSORT1ALOX5APNPSR1GAA
SCHEMBL2825530 0.82 HTR2A (0.54) GRNSORT1HTR2AHTR2CSLC6A4
SCHEMBL2827555 0.78 FFAR1 (0.49) ALOX5AP
SCHEMBL2828319 0.77 FFAR1 (0.48) ALOX5AP
SCHEMBL2828322 0.77 FFAR1 (0.41) ALOX5APHTR2AHTR2CSLC6A4ALDH1A1
SCHEMBL2823950 0.76 FFAR1 (0.40) ALOX5APHTR2AHTR2CSLC6A4
SCHEMBL13226343 0.76 FFAR1 (0.45) ALOX5APHTR2AHTR2CSLC6A4NPSR1
SCHEMBL3629124 0.73 FFAR1 (0.44) ALOX5APHTR2AHTR2CSLC6A4NPSR1
SCHEMBL2828245 0.70 GRN (0.49) GRNSORT1NPSR1GAAMAPT
SCHEMBL3631800 0.70 GRN (0.50) GRNSORT1NPSR1GAAMAPT

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 13 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
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 GRN 2472/4885SORT1 692/4885ALOX5AP 200/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 GRN 2970/4885SORT1 1075/4885ALOX5AP 242/4885

“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.