SCHEMBL4384418

SCHEMBL4384418

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.54
AKR1C3 P42330 2/20 0.50
CYP2C9 P11712 1/20 0.48
MEP1B Q16820 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LIPE Q05469 1/20 0.42
GBA1 P04062 1/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41
IL1RN P18510 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 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
SCHEMBL4385286 0.92 CYP2C9 (0.48) MRGPRX4AKR1C3CYP2C9MEP1BGAA
SCHEMBL4380227 0.91 MRGPRX4 (0.56) MRGPRX4AKR1C3CYP2C9GAAMEN1
SCHEMBL4383670 0.90 CYP2C9 (0.43) MRGPRX4AKR1C3CYP2C9MEP1BGAA
SCHEMBL4385844 0.90 SCN9A (0.52) MRGPRX4AKR1C3CYP2C9GAAMEN1
SCHEMBL4388925 0.87 GBA1 (0.45) CYP2C9GAAMEN1KMT2AALDH1A1
SCHEMBL4380572 0.86 MEN1 (0.43) AKR1C3CYP2C9GAAMEN1KMT2A
SCHEMBL4391160 0.86 KMT2A (0.55) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL4388230 0.84 MEN1 (0.46) AKR1C3CYP2C9GAAMEN1KMT2A
SCHEMBL4383719 0.84 MEN1 (0.42) CYP2C9GAAMEN1KMT2AALDH1A1
SCHEMBL4393199 0.81 LIPE (0.46) CYP2C9MEN1KMT2AALDH1A1LIPE

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 4 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
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 MRGPRX4 1288/4885AKR1C3 416/4885CYP2C9 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.