SCHEMBL4386056

SCHEMBL4386056

CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.41
HTR6 P50406 2/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
EPHX2 P34913 3/20 0.39
CYP2C9 P11712 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
EPHX1 P07099 2/20 0.37
ATM Q13315 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
SCHEMBL4386053 1.00 LIPE (0.41) LIPEHTR6DRD2DRD4EPHX2
SCHEMBL4379475 0.81 GPR119 (0.48) LIPEEPHX2EPHX1
SCHEMBL4390285 0.78 EPHX2 (0.44) LIPEHTR6EPHX2MEN1KMT2A
SCHEMBL4386440 0.75 MEN1 (0.41) LIPEHTR6EPHX2CYP2C9MEN1
SCHEMBL4386443 0.75 MEN1 (0.41) LIPEHTR6EPHX2CYP2C9MEN1
SCHEMBL13589003 0.75 HTR2A (0.49) LIPEHTR6EPHX2MEN1KMT2A
SCHEMBL4380733 0.74 EPHX2 (0.47) LIPEEPHX2CYP2C9MEN1KMT2A
SCHEMBL4380917 0.74 MEN1 (0.47) LIPEEPHX2CYP2C9MEN1KMT2A
SCHEMBL4384890 0.74 EPHX2 (0.46) LIPEEPHX2CYP2C9MEN1KMT2A
SCHEMBL4382729 0.73 EPHX2 (0.50) LIPEEPHX2CYP2C9MEN1KMT2A

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
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

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 LIPE 2501/4885HTR6 1037/4885DRD2 915/4885

“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.