SCHEMBL4385844

SCHEMBL4385844

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.52
MRGPRX4 Q96LA9 3/20 0.45
CYP2C9 P11712 1/20 0.43
GAA P10253 1/20 0.42
AKR1C3 P42330 2/20 0.42
ABL1 P00519 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 2/20 0.40
LIPE Q05469 1/20 0.40
EPHX1 P07099 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 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
SCHEMBL4380227 0.91 MRGPRX4 (0.56) SCN9AMRGPRX4CYP2C9GAAAKR1C3
SCHEMBL4384418 0.90 MRGPRX4 (0.54) MRGPRX4CYP2C9GAAAKR1C3MEN1
SCHEMBL4385286 0.89 CYP2C9 (0.48) SCN9AMRGPRX4CYP2C9GAAAKR1C3
SCHEMBL4383670 0.88 CYP2C9 (0.43) SCN9AMRGPRX4CYP2C9GAAAKR1C3
SCHEMBL4380572 0.83 MEN1 (0.43) SCN9ACYP2C9GAAAKR1C3MEN1
SCHEMBL4391160 0.83 KMT2A (0.55) GAAMEN1KMT2AALDH1A1EPHX1
SCHEMBL4383719 0.82 MEN1 (0.42) SCN9ACYP2C9GAAMEN1KMT2A
SCHEMBL4388925 0.82 GBA1 (0.45) CYP2C9GAAMEN1KMT2AALDH1A1
SCHEMBL4388230 0.81 MEN1 (0.46) CYP2C9GAAAKR1C3MEN1KMT2A
SCHEMBL2296931 0.80 MEN1 (0.54) SCN9ACYP2C9MEN1KMT2AALDH1A1

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 SCN9A 270/4885MRGPRX4 1288/4885CYP2C9 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.