SCHEMBL4388309

SCHEMBL4388309

N#Cc1ccc(S(=O)(=O)N2CCC(=NOCc3cc(C#N)ccn3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
HSD11B1 P28845 1/20 0.40
CYP3A4 P08684 1/20 0.40
GRM5 P41594 1/20 0.40
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCR6 P51684 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 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
SCHEMBL4384547 0.93 CCR6 (0.42) GAAL3MBTL1PKMCYP3A4GRM5
SCHEMBL8222754 0.93 GPR6 (0.40) GAAL3MBTL1PKMHSD11B1IKBKB
SCHEMBL4384904 0.90 SCN9A (0.39) GAAL3MBTL1IKBKBCHUKCYP2C9
SCHEMBL4380261 0.89 MEN1 (0.42) GAAL3MBTL1HSD11B1CCNA2CDK2
SCHEMBL4386017 0.88 KDM4E (0.39) GAAL3MBTL1IKBKBCHUKCCNA2
SCHEMBL4384743 0.87 SCN9A (0.39) L3MBTL1PKMPKLRMEN1KMT2A
SCHEMBL4379530 0.87 GAA (0.45) GAAL3MBTL1HSD11B1MEN1KMT2A
SCHEMBL4388899 0.85 PKM (0.37) GAAL3MBTL1PKMPKLRHSD11B1
SCHEMBL4393773 0.84 HSD11B1 (0.44) GAAPKMPKLRHSD11B1
SCHEMBL4377008 0.83 CYP11B1 (0.39) GAAL3MBTL1HSD11B1CYP3A4MEN1

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 GAA 3245/4885L3MBTL1 2099/4885PKM 2106/4885

“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.