SCHEMBL5898532

SCHEMBL5898532

CCC(O)(C(N)=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NOS1 P29475 3/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NOS3 P29474 2/20 0.42
NOS2 P35228 2/20 0.42
BLM P54132 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
KIF11 P52732 2/20 0.42
PTPN1 P18031 1/20 0.42
GSK3B P49841 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4001103 0.86 SCN5A (0.48) CES2NOS1ALDH1A1NOS3NOS2
SCHEMBL8356496 0.85 KCNN4 (0.55) MAPK1KIF11KMT2AMEN1SCN5A
SCHEMBL5898546 0.85 CES2 (0.44) CES2ALDH1A1LMNAIDO1SCN5A
SCHEMBL13946506 0.82 MAPT (0.55) LMNACYP2C19KIF11KMT2ASCN5A
SCHEMBL3837958 0.82 MAPT (0.55) LMNACYP2C19KIF11KMT2ASCN5A
SCHEMBL13946510 0.82 MAPT (0.55) LMNACYP2C19KIF11KMT2ASCN5A
SCHEMBL8360666 0.81 SCN5A (0.49) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL5898573 0.81 OGG1 (0.41) KIF11KMT2AMEN1SCN5ASCN9A
Benzoic Acid SCHEMBL30973625 0.75 TSHR (0.48) CES2CES1ALDH1A1BLMCYP1A2
SCHEMBL10812567 0.74 CES2 (0.52) CES2CES1CYP1A2KIF11PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity MEZA TOLEDO SERGIO E 2006-12-21 US disclosed
US-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity MEZA TOLEDO SERGIO E 2006-12-21 US disclosed
WO-2003091201-A1 DL-HYDROXY-ALKYL-PHENYLAMIDES HAVING ANTICONVULSIVE ACTIVITY MEZA TOLEDO SERGIO ENRIQUE (MX) 2003-11-06 WO 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-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity GABRB2, HRH3, HRH4 CES2 146/4885CES1 733/4885NOS1 4427/4885

“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.