SCHEMBL4384704

SCHEMBL4384704

N#Cc1cccc(CON=C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
AKR1C3 P42330 2/20 0.41
AKR1C1 Q04828 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 2/20 0.40
SCN9A Q15858 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP21A2 P08686 1/20 0.39
CYP11B1 P15538 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ADAM17 P78536 2/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
MMP1 P03956 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
SCHEMBL13589015 0.93 CYP3A4 (0.43) L3MBTL1ATMAKR1C3AKR1C1CYP2C9
SCHEMBL4388251 0.90 LMNA (0.45) L3MBTL1ATMGAAMEN1KMT2A
SCHEMBL4379490 0.90 ATM (0.39) L3MBTL1ATMGAASCN9AADAM17
SCHEMBL8225081 0.90 RORC (0.43) L3MBTL1ATMSCN9AMEN1KMT2A
SCHEMBL4385458 0.90 PKM (0.39) L3MBTL1ATMCYP2C9GAASCN9A
SCHEMBL4383772 0.88 ATM (0.42) L3MBTL1ATMGAASCN9AADAM17
SCHEMBL4382363 0.88 GPBAR1 (0.47) ATMGAAKMT2A
SCHEMBL4380262 0.88 LMNA (0.48) L3MBTL1ADAM17MMP1
SCHEMBL4380831 0.88 PKM (0.48) L3MBTL1ATMGAAMEN1KMT2A
SCHEMBL4379092 0.87 MRGPRX4 (0.45) L3MBTL1GAAMEN1KMT2A

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 5 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
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP 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 L3MBTL1 2099/4885ATM 4309/4885AKR1C3 416/4885

“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.