SCHEMBL4390696

SCHEMBL4390696

CC(C)CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 3/20 0.42
LIPE Q05469 2/20 0.42
EPHX1 P07099 1/20 0.42
GBA1 P04062 1/20 0.42
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4387903 0.85 TSHR (0.45) MEN1KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL4413450 0.83 NPC1 (0.49) MEN1KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL2290171 0.83 ALDH1A1 (0.45) MEN1KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL4380733 0.82 EPHX2 (0.47) MEN1KMT2ACYP2C9EPHX2LIPE
SCHEMBL2298214 0.82 CYP2C9 (0.49) MEN1KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL4413446 0.81 MEN1 (0.48) MEN1KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL2294078 0.81 EPHX2 (0.44) MEN1KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL2296931 0.81 MEN1 (0.54) MEN1KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL13589003 0.81 HTR2A (0.49) MEN1KMT2AEPHX2LIPEEPHX1
SCHEMBL4386236 0.81 HDAC3 (0.40) MEN1KMT2ACYP2C9ALDH1A1CYP1A2

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 MEN1 3694/4885KMT2A 2079/4885CYP2C9 114/4885

“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.