SCHEMBL4388149

SCHEMBL4388149

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCc2ncccc2-c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
PRCP P42785 2/20 0.41
HSD11B1 P28845 2/20 0.41
CYP2C9 P11712 1/20 0.40
SCN9A Q15858 2/20 0.40
CYP11B1 P15538 1/20 0.39
LIPE Q05469 1/20 0.39
EPHX2 P34913 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4384729 0.90 PRCP (0.44) GBA1MEN1KMT2APRCPHSD11B1
SCHEMBL4383891 0.87 PRCP (0.47) GBA1MEN1KMT2APRCPHSD11B1
SCHEMBL4383823 0.86 GBA1 (0.46) GBA1MEN1KMT2AHSD11B1CYP2C9
SCHEMBL4379123 0.83 PRCP (0.47) GBA1MEN1KMT2APRCPHSD11B1
SCHEMBL4386428 0.81 PRCP (0.46) GBA1MEN1KMT2APRCPHSD11B1
SCHEMBL4388925 0.80 GBA1 (0.45) GBA1MEN1KMT2AHSD11B1CYP2C9
SCHEMBL4385279 0.80 HSD11B1 (0.44) GBA1MEN1KMT2APRCPHSD11B1
SCHEMBL4379512 0.78 GBA1 (0.42) GBA1MEN1KMT2APRCPHSD11B1
SCHEMBL4393199 0.77 LIPE (0.46) MEN1KMT2ACYP2C9SCN9ALIPE
SCHEMBL4382834 0.77 HDAC3 (0.42) GBA1MEN1KMT2APRCPHSD11B1

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 4 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
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 GBA1 1854/4885MEN1 3694/4885KMT2A 2079/4885

“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.