SCHEMBL4388306

SCHEMBL4388306

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCC2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LIPE Q05469 2/20 0.41
EPHX1 P07099 2/20 0.41
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CYP2C9 P11712 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
SCHEMBL4380733 0.93 EPHX2 (0.47) EPHX2KMT2AMEN1LIPEEPHX1
SCHEMBL4382729 0.91 EPHX2 (0.50) EPHX2KMT2AMEN1LIPEEPHX1
SCHEMBL4383065 0.90 EPHX2 (0.52) EPHX2KMT2AMEN1LIPEEPHX1
SCHEMBL13589003 0.89 HTR2A (0.49) EPHX2KMT2AMEN1LIPEEPHX1
SCHEMBL4383533 0.88 EPHX2 (0.43) EPHX2KMT2AMEN1LIPEEPHX1
SCHEMBL4384890 0.85 EPHX2 (0.46) EPHX2KMT2AMEN1LIPEEPHX1
SCHEMBL4378966 0.83 MEN1 (0.48) EPHX2KMT2AMEN1LIPEEPHX1
SCHEMBL4388873 0.83 EPHX2 (0.46) EPHX2KMT2AMEN1LMNASMN1; SMN2
SCHEMBL4386064 0.83 EPHX2 (0.43) EPHX2KMT2AMEN1LIPEEPHX1
SCHEMBL4379475 0.82 GPR119 (0.48) EPHX2LIPEEPHX1

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 EPHX2 925/4885KMT2A 2079/4885MEN1 3694/4885

“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.