SCHEMBL5162285

SCHEMBL5162285

O=CCCn1cccc(C(F)(F)F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
KDM4E B2RXH2 4/20 0.44
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
CA2 P00918 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TNF P01375 1/20 0.33
IL6 P05231 1/20 0.33
NFKB1 P19838 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTR1A P08908 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL20224820 0.80 MAPT (0.54) MAPTKDM4EDRD2DRD3POLB
SCHEMBL17848670 0.80 MAPT (0.50) MAPTKDM4EDRD2DRD3POLB
SCHEMBL26817055 0.78 MAPT (0.54) MAPTKDM4EDRD2DRD3POLB
SCHEMBL3388058 0.77 MAPT (0.48) MAPTKDM4EDRD2DRD3POLB
SCHEMBL5162281 0.77 MAPT (0.48) MAPTKDM4EDRD2DRD3POLB
SCHEMBL1997416 0.76 MAPT (0.50) MAPTKDM4EDRD2DRD3POLB
SCHEMBL27739336 0.76 MAPT (0.52) MAPTKDM4EDRD2DRD3POLB
SCHEMBL15332913 0.75 PKM (0.43) MAPTKDM4EDRD2DRD3POLB
SCHEMBL20386655 0.75 EGLN1 (0.50) ALDH1A1
SCHEMBL13460189 0.74 MAPT (0.48) MAPTKDM4EDRD2DRD3POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine AJINOMOTO CO., INC. (JP) 2005-03-31 US disclosed
EP-1233013-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-08-21 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-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine ITGB4, ITGA4, ITGAL MAPT 4025/4885KDM4E 420/4885DRD2 755/4885

“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.