SCHEMBL4379512

SCHEMBL4379512

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCc2nc3cccnc3[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.42
PRCP P42785 2/20 0.40
SCN9A Q15858 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
NOD1 Q9Y239 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HSD11B1 P28845 1/20 0.37
CYP11B1 P15538 1/20 0.37
EPHX2 P34913 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
SCHEMBL4379104 0.87 HTR2B (0.47) GBA1NOD1MEN1KMT2AALDH1A1
SCHEMBL4388054 0.86 MEN1 (0.39) GBA1PRCPSCN9AHDAC3HDAC4
SCHEMBL4382851 0.81 ALDH1A1 (0.43) GBA1SCN9AMEN1KMT2AHSD11B1
SCHEMBL4384729 0.81 PRCP (0.44) GBA1PRCPSCN9AHDAC3HDAC4
SCHEMBL4383891 0.81 PRCP (0.47) GBA1PRCPHDAC3HDAC4HDAC1
SCHEMBL4379123 0.80 PRCP (0.47) GBA1PRCPHDAC3HDAC4HDAC1
SCHEMBL4386428 0.80 PRCP (0.46) GBA1PRCPHDAC3HDAC4HDAC1
SCHEMBL4385279 0.78 HSD11B1 (0.44) GBA1PRCPHDAC3HDAC4HDAC1
SCHEMBL4387916 0.78 CYP11B1 (0.42) GBA1PRCPHDAC3HDAC4HDAC1
SCHEMBL4388149 0.78 GBA1 (0.45) GBA1PRCPSCN9AMEN1KMT2A

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 GBA1 1854/4885PRCP 3210/4885SCN9A 270/4885

“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.