SCHEMBL4378936

SCHEMBL4378936

O=c1cc[nH]c(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
EPHX2 P34913 2/20 0.39
CYP2C9 P11712 1/20 0.38
LIPE Q05469 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
EPHX1 P07099 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL4383731 0.87 MEN1 (0.39) MEN1KMT2AEPHX2CYP2C9LIPE
SCHEMBL4386048 0.83 MEN1 (0.41) MEN1KMT2AEPHX2CYP2C9LIPE
SCHEMBL4379101 0.82 MEN1 (0.44) MEN1KMT2AEPHX2CYP2C9LIPE
SCHEMBL4380318 0.82 MEN1 (0.39) MEN1KMT2AEPHX2CYP2C9LIPE
SCHEMBL4386203 0.81 MEN1 (0.43) MEN1KMT2AEPHX2CYP2C9LIPE
SCHEMBL4387835 0.81 GBA1 (0.41) MEN1KMT2AEPHX2CYP2C9LIPE
SCHEMBL4393199 0.80 LIPE (0.46) MEN1KMT2AEPHX2CYP2C9LIPE
SCHEMBL4382748 0.79 MEN1 (0.38) MEN1KMT2AEPHX2CYP2C9LIPE
SCHEMBL4395594 0.79 MEN1 (0.39) MEN1KMT2AEPHX2CYP2C9LIPE
SCHEMBL4390246 0.79 MEN1 (0.41) MEN1KMT2AEPHX2CYP2C9LIPE

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 2079/4885EPHX2 925/4885

“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.