SCHEMBL5898546

SCHEMBL5898546

CCC(O)(C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ACP1 P24666 1/20 0.39
RPS6KA3 P51812 1/20 0.38
JAK3 P52333 1/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
NOTUM Q6P988 1/20 0.37
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36
IDO1 P14902 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36

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) CES2ALDH1A1GAAMAPTSCN5A
SCHEMBL5898532 0.85 CES2 (0.44) CES2ALDH1A1LMNASCN5ASCN9A
SCHEMBL6260645 0.75 ALDH1A1 (0.41) CES2ALDH1A1LMNAGAAMAPT
SCHEMBL3837958 0.75 MAPT (0.55) LMNAMAPTSCN5ASCN9A
SCHEMBL13946506 0.75 MAPT (0.55) LMNAMAPTSCN5ASCN9A
SCHEMBL13946510 0.75 MAPT (0.55) LMNAMAPTSCN5ASCN9A
SCHEMBL8356496 0.74 KCNN4 (0.55) MAPTSCN5ASCN9A
SCHEMBL4005874 0.73 CES2 (0.42) CES2ALDH1A1LMNAGAAMAPT
Hydrochloric Acid SCHEMBL4031527 0.71 MAPT (0.50) CES2GAAMAPTRPS6KA3JAK3
SCHEMBL8360666 0.70 SCN5A (0.49) ALDH1A1LMNAMAPTSCN5ASCN9A

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 146/4885ALDH1A1 905/4885LMNA 3312/4885

“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.