SCHEMBL4384904

SCHEMBL4384904

N#Cc1cccc(S(=O)(=O)N2CCC(=NOCc3cc(C#N)ccn3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.39
AKR1C3 P42330 2/20 0.39
CYP11B1 P15538 2/20 0.39
AKR1C1 Q04828 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP21A2 P08686 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
ATM Q13315 2/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2C9 P11712 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL4379530 0.93 GAA (0.45) AKR1C3CYP11B1AKR1C1CYP17A1CYP21A2
SCHEMBL4384743 0.93 SCN9A (0.39) SCN9AAKR1C3AKR1C1L3MBTL1ATM
SCHEMBL4393773 0.90 HSD11B1 (0.44) GAA
SCHEMBL4388309 0.90 GAA (0.47) IKBKBCHUKL3MBTL1GAACYP2C9
SCHEMBL4386017 0.90 KDM4E (0.39) CYP11B1IKBKBCHUKL3MBTL1GAA
SCHEMBL4377008 0.89 CYP11B1 (0.39) SCN9AAKR1C3CYP11B1AKR1C1CYP17A1
SCHEMBL8222754 0.87 GPR6 (0.40) SCN9AIKBKBCHUKL3MBTL1GAA
SCHEMBL4384547 0.87 CCR6 (0.42) L3MBTL1GAAATM
SCHEMBL4388899 0.85 PKM (0.37) L3MBTL1GAACYP2C9
SCHEMBL4384704 0.85 L3MBTL1 (0.45) SCN9AAKR1C3CYP11B1AKR1C1CYP17A1

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 SCN9A 270/4885AKR1C3 416/4885CYP11B1 371/4885

“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.