SCHEMBL4383533

SCHEMBL4383533

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCC2CCNCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LIPE Q05469 2/20 0.41
EPHX1 P07099 2/20 0.41
CYP2C9 P11712 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
GBA1 P04062 1/20 0.37
HTR2A P28223 1/20 0.37
PSEN1 P49768 1/20 0.37

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
SCHEMBL4380733 0.93 EPHX2 (0.47) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4382729 0.91 EPHX2 (0.50) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4383065 0.90 EPHX2 (0.52) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL13589003 0.89 HTR2A (0.49) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4386064 0.89 EPHX2 (0.43) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4388306 0.88 EPHX2 (0.43) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4384890 0.85 EPHX2 (0.46) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4378966 0.83 MEN1 (0.48) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL4379475 0.82 GPR119 (0.48) EPHX2LIPEEPHX1
SCHEMBL4387788 0.80 EPHX2 (0.38) 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 6 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
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO 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 EPHX2 925/4885MEN1 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.