SCHEMBL4393072

SCHEMBL4393072

N#Cc1cccc(CON=C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
PKM P14618 3/20 0.37
KCNH2 Q12809 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PKLR P30613 1/20 0.37
TRPV4 Q9HBA0 2/20 0.36
RORC P51449 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
HTR6 P50406 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL4382619 0.93 PKM (0.42) ALDH1A1MAPK14HTR2AHTR2CPKM
SCHEMBL8225081 0.87 RORC (0.43) ALDH1A1MAPTPKMRORCATM
SCHEMBL4385458 0.85 PKM (0.39) ALDH1A1PKMMAOAMAOBRORC
SCHEMBL4379490 0.84 ATM (0.39) ALDH1A1MAPTPKMRORCATM
SCHEMBL4384704 0.83 L3MBTL1 (0.45) MAOAMAOBATML3MBTL1SCN9A
SCHEMBL4383772 0.82 ATM (0.42) ALDH1A1MAPTPKMRORCATM
SCHEMBL13589015 0.82 CYP3A4 (0.43) ALDH1A1MAPTPKMPKLRATM
SCHEMBL4379092 0.79 MRGPRX4 (0.45) ALDH1A1MAPTRORCL3MBTL1
SCHEMBL4387888 0.79 FABP1 (0.52) ALDH1A1MAPTPKML3MBTL1
SCHEMBL4388929 0.79 KMT2A (0.49) ALDH1A1MAPTL3MBTL1

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 ALDH1A1 2105/4885MAPT 4378/4885MAPK14 2888/4885

“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.