SCHEMBL4388038

SCHEMBL4388038

N#Cc1ccc(S(=O)(=O)N2CCC(=NOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 4/20 0.41
SCN9A Q15858 1/20 0.41
PKLR P30613 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CCR6 P51684 1/20 0.39
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 1/20 0.38
CYP3A4 P08684 1/20 0.38
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4381279 0.91 PKM (0.49) MAPTGAAL3MBTL1PKMMEN1
SCHEMBL4380268 0.88 SCN9A (0.47) MAPTGAAPKMSCN9ACYP2C9
SCHEMBL4379004 0.85 SCN9A (0.44) MAPTGAAL3MBTL1PKMSCN9A
SCHEMBL4382575 0.85 KMT2A (0.52) MAPTGAAL3MBTL1PKMMEN1
SCHEMBL4391478 0.83 PKM (0.52) GAAL3MBTL1PKMPKLRMEN1
SCHEMBL4392624 0.83 GAA (0.40) MAPTGAAPKMPKLRMEN1
SCHEMBL4386376 0.83 ALDH1A1 (0.43) MAPTL3MBTL1PKMMEN1KMT2A
SCHEMBL4385228 0.82 PKM (0.44) MAPTGAAPKMPKLRMEN1
SCHEMBL4385227 0.82 MEN1 (0.49) PKMSCN9AMEN1KMT2ACYP2C9
SCHEMBL4376961 0.81 PKM (0.50) MAPTGAAL3MBTL1PKMALDH1A1

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 MAPT 4378/4885GAA 3245/4885L3MBTL1 2099/4885

“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.