SCHEMBL4383813

SCHEMBL4383813

N#Cc1cc(CON=C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.43
PKM P14618 2/20 0.42
SCN9A Q15858 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL4385274 0.92 PKM (0.41) RORCPKMSCN9AALDH1A1SMN1; SMN2
SCHEMBL4381060 0.91 TP53 (0.37) RORCPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4385346 0.89 MEN1 (0.43) RORCSCN9ASMN1; SMN2MEN1KMT2A
SCHEMBL4382701 0.86 PKM (0.47) PKMALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL4384886 0.85 PKM (0.38) PKMALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL4383060 0.85 NAMPT (0.41) PKMALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4383772 0.85 ATM (0.42) RORCPKMSCN9AALDH1A1SMN1; SMN2
SCHEMBL8225081 0.84 RORC (0.43) RORCPKMSCN9AALDH1A1L3MBTL1
SCHEMBL4395456 0.82 TYMS (0.41) SCN9AALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4380375 0.82 CCR6 (0.45) RORCALDH1A1SMN1; SMN2KDM4E

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 3 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
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 RORC 2003/4885PKM 2106/4885SCN9A 270/4885

“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.