SCHEMBL4388873

SCHEMBL4388873

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCC2CCCCO2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
LIPE Q05469 1/20 0.39
EPHX1 P07099 2/20 0.39

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
SCHEMBL4382729 0.86 EPHX2 (0.50) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4383065 0.85 EPHX2 (0.52) EPHX2MEN1KMT2AGAALIPE
SCHEMBL4380733 0.84 EPHX2 (0.47) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4388306 0.83 EPHX2 (0.43) EPHX2ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL13589003 0.81 HTR2A (0.49) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4380917 0.80 MEN1 (0.47) EPHX2ALDH1A1MEN1KMT2AGAA
SCHEMBL4383533 0.80 EPHX2 (0.43) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4385526 0.80 EPHX2 (0.40) EPHX2ALDH1A1MEN1KMT2ALIPE
SCHEMBL4378966 0.79 MEN1 (0.48) EPHX2MEN1KMT2AGAALIPE
SCHEMBL4386064 0.79 EPHX2 (0.43) EPHX2MEN1KMT2ALIPEEPHX1

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
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 EPHX2 925/4885ALDH1A1 2105/4885SMN1; SMN2 664/4885

“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.