SCHEMBL4386236

SCHEMBL4386236

Cn1cncc1CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
EPHX2 P34913 2/20 0.38
KDM2B Q8NHM5 1/20 0.38
EPHX1 P07099 1/20 0.38
GBA1 P04062 1/20 0.38
CYP2C9 P11712 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
CYP11B1 P15538 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
SCHEMBL4392793 0.82 MEN1 (0.41) MEN1KMT2AEPHX2EPHX1GBA1
SCHEMBL4387916 0.81 CYP11B1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4382834 0.81 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4390696 0.81 MEN1 (0.48) MEN1KMT2AEPHX2EPHX1GBA1
SCHEMBL4382946 0.80 PRCP (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4390911 0.80 PRCP (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4413450 0.80 NPC1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4387903 0.79 TSHR (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4393199 0.79 LIPE (0.46) MEN1KMT2AEPHX2CYP2C9ALDH1A1
SCHEMBL4381887 0.79 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 1286/4885HDAC4 1394/4885HDAC1 2708/4885

“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.