SCHEMBL4385227

SCHEMBL4385227

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
LIPE Q05469 2/20 0.46
SCN9A Q15858 1/20 0.43
EPHX2 P34913 2/20 0.41
PKM P14618 1/20 0.40
CYP2C9 P11712 1/20 0.40
EPHX1 P07099 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL4385210 0.91 LIPE (0.43) MEN1KMT2ALIPESCN9AEPHX2
SCHEMBL4385770 0.90 KMT2A (0.58) MEN1KMT2ALIPEEPHX2CYP2C9
SCHEMBL4381279 0.90 PKM (0.49) MEN1KMT2APKMCYP2C9
SCHEMBL8219208 0.89 KMT2A (0.42) MEN1KMT2ALIPESCN9APKM
SCHEMBL4391227 0.88 SCN9A (0.47) MEN1KMT2ASCN9APKMCYP2C9
SCHEMBL4386311 0.87 MEN1 (0.43) MEN1KMT2ALIPESCN9APKM
SCHEMBL8220357 0.87 LIPE (0.46) MEN1KMT2ALIPESCN9AEPHX2
SCHEMBL4391478 0.87 PKM (0.52) MEN1KMT2APKM
SCHEMBL4386376 0.86 ALDH1A1 (0.43) MEN1KMT2APKMCYP2C9
SCHEMBL13589017 0.85 EPHX2 (0.48) MEN1KMT2ALIPESCN9AEPHX2

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
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

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.