SCHEMBL4386443

SCHEMBL4386443

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCC2Cc3ccccc3N2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
LIPE Q05469 1/20 0.40
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 3/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GBA1 P04062 1/20 0.38
PRCP P42785 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX1 P07099 2/20 0.36
HTR6 P50406 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
SCHEMBL4386440 1.00 MEN1 (0.41) MEN1KMT2ALIPECYP2C9EPHX2
SCHEMBL4380733 0.80 EPHX2 (0.47) MEN1KMT2ALIPECYP2C9EPHX2
SCHEMBL4380917 0.79 MEN1 (0.47) MEN1KMT2ALIPECYP2C9EPHX2
SCHEMBL13589003 0.78 HTR2A (0.49) MEN1KMT2ALIPEEPHX2EPHX1
SCHEMBL4382729 0.78 EPHX2 (0.50) MEN1KMT2ALIPECYP2C9EPHX2
SCHEMBL4383533 0.78 EPHX2 (0.43) MEN1KMT2ALIPECYP2C9EPHX2
SCHEMBL4387788 0.78 EPHX2 (0.38) MEN1KMT2ALIPECYP2C9EPHX2
SCHEMBL4388049 0.78 EPHX2 (0.38) MEN1KMT2ALIPECYP2C9EPHX2
SCHEMBL4387786 0.78 EPHX2 (0.38) MEN1KMT2ALIPECYP2C9EPHX2
SCHEMBL4383065 0.77 EPHX2 (0.52) MEN1KMT2ALIPECYP2C9EPHX2

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 MEN1 3694/4885KMT2A 2079/4885LIPE 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.