SCHEMBL4388046

SCHEMBL4388046

COc1ccc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
GBA1 P04062 2/20 0.37
LIPE Q05469 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
APAF1 O14727 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
TXNRD1 Q16881 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL4385890 0.81 CHRM4 (0.42) SCN9AGBA1ALDH1A1
SCHEMBL4393199 0.80 LIPE (0.46) SCN9ALIPEALDH1A1HTR2AHTR2C
SCHEMBL4376809 0.79 HDAC3 (0.40) ALDH1A1TXNRD1
SCHEMBL4377024 0.77 LMNA (0.38) SCN9AGBA1ALDH1A1MAPTHSD17B10
SCHEMBL4385279 0.76 HSD11B1 (0.44) GBA1
SCHEMBL4382602 0.76 HTR2A (0.44) SCN9ALIPEHTR2AHTR2C
SCHEMBL4385376 0.76 EGLN1 (0.38) ALDH1A1
SCHEMBL4381887 0.76 HDAC3 (0.42) SCN9AGBA1LIPEL3MBTL1
SCHEMBL4382946 0.75 PRCP (0.40) SCN9AGBA1HTT
SCHEMBL4383823 0.74 GBA1 (0.46) SCN9AGBA1LIPEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 SCN9A 270/4885GBA1 1854/4885LIPE 2501/4885

“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.