SCHEMBL4383670

SCHEMBL4383670

CN(C)C(=O)c1cccc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
GAA P10253 1/20 0.42
AKR1C3 P42330 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN9A Q15858 2/20 0.40
MEP1B Q16820 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
EPHX2 P34913 2/20 0.38
LIPE Q05469 1/20 0.38
EPHX1 P07099 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 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
SCHEMBL4380227 0.90 MRGPRX4 (0.56) CYP2C9MRGPRX4GAAAKR1C3MEN1
SCHEMBL4384418 0.90 MRGPRX4 (0.54) CYP2C9MRGPRX4GAAAKR1C3MEN1
SCHEMBL4385286 0.89 CYP2C9 (0.48) CYP2C9MRGPRX4GAAAKR1C3MEN1
SCHEMBL4385844 0.88 SCN9A (0.52) CYP2C9MRGPRX4GAAAKR1C3MEN1
SCHEMBL4383719 0.86 MEN1 (0.42) CYP2C9GAAMEN1KMT2AALDH1A1
SCHEMBL4391160 0.83 KMT2A (0.55) GAAMEN1KMT2AALDH1A1EPHX1
SCHEMBL4380572 0.83 MEN1 (0.43) CYP2C9GAAAKR1C3MEN1KMT2A
SCHEMBL4388925 0.82 GBA1 (0.45) CYP2C9GAAMEN1KMT2AALDH1A1
SCHEMBL4388230 0.81 MEN1 (0.46) CYP2C9GAAAKR1C3MEN1KMT2A
SCHEMBL2294078 0.80 EPHX2 (0.44) CYP2C9MEN1KMT2AALDH1A1CYP1A2

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 CYP2C9 114/4885MRGPRX4 1288/4885GAA 3245/4885

“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.