SCHEMBL4387903

SCHEMBL4387903

CCCON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
EPHX2 P34913 2/20 0.43
KDM2B Q8NHM5 1/20 0.43
EPHX1 P07099 2/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
RAB9A P51151 1/20 0.41
LIPE Q05469 1/20 0.41

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
SCHEMBL4390696 0.85 MEN1 (0.48) MEN1KMT2AEPHX2EPHX1CYP2C9
SCHEMBL4413450 0.84 NPC1 (0.49) L3MBTL1MEN1KMT2AEPHX2EPHX1
SCHEMBL4380733 0.83 EPHX2 (0.47) MEN1KMT2AEPHX2EPHX1CYP2C9
SCHEMBL2298214 0.83 CYP2C9 (0.49) MEN1KMT2AEPHX2EPHX1CYP2C9
SCHEMBL2290513 0.83 MAPT (0.52) TSHRMEN1KMT2AEPHX2EPHX1
SCHEMBL2290126 0.82 HCRTR2 (0.46) MEN1KMT2AEPHX2KDM2BEPHX1
SCHEMBL4413446 0.82 MEN1 (0.48) MEN1KMT2AEPHX2EPHX1CYP2C9
SCHEMBL2294078 0.82 EPHX2 (0.44) MEN1KMT2AEPHX2KDM2BEPHX1
SCHEMBL2296931 0.82 MEN1 (0.54) MEN1KMT2AEPHX2EPHX1CYP2C9
SCHEMBL13589003 0.82 HTR2A (0.49) MEN1KMT2AEPHX2KDM2BEPHX1

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
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

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 TSHR 1691/4885MAPK1 2236/4885RECQL 1746/4885

“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.