SCHEMBL3632704

SCHEMBL3632704

Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1cccc(CN(c2ccc(CCC(=O)OC(C)(C)C)c(F)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.37
FFAR4 Q5NUL3 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
DRD4 P21917 1/20 0.34
ADRA1D P25100 1/20 0.34
DRD3 P35462 1/20 0.34
PTPN22 Q9Y2R2 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN12 Q05209 1/20 0.33

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
SCHEMBL3632025 0.94 FFAR1 (0.39) FFAR1FFAR4NPSR1DRD4ADRA1D
SCHEMBL3629227 0.90 FFAR1 (0.39) FFAR1FFAR4NPSR1DRD4ADRA1D
SCHEMBL3632939 0.87 FFAR1 (0.53) FFAR1FFAR4
SCHEMBL3629887 0.86 FFAR1 (0.43) FFAR1FFAR4NPSR1PTPN22
SCHEMBL3630187 0.86 FFAR1 (0.43) FFAR1FFAR4DRD4ADRA1DDRD3
SCHEMBL3628506 0.86 FFAR1 (0.44) FFAR1FFAR4NPSR1DRD4ADRA1D
SCHEMBL3631642 0.85 FFAR1 (0.53) FFAR1FFAR4NPSR1DRD4ADRA1D
SCHEMBL3632385 0.85 FFAR1 (0.42) FFAR1FFAR4DRD4ADRA1DDRD3
SCHEMBL3631640 0.85 FFAR1 (0.47) FFAR1FFAR4NPSR1DRD4ADRA1D
SCHEMBL3632035 0.85 KDM4E (0.41) FFAR1FFAR4

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
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US 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 (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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 FFAR1 5/4885FFAR4 18/4885NPSR1 195/4885

“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.