SCHEMBL4379101

SCHEMBL4379101

O=c1cccc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
CYP2C9 P11712 1/20 0.40
CYP3A4 P08684 1/20 0.39
GRM5 P41594 1/20 0.39
EPHX2 P34913 3/20 0.39
LIPE Q05469 2/20 0.39
GBA1 P04062 1/20 0.38
SCN9A Q15858 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
EPHX1 P07099 2/20 0.36

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
SCHEMBL4386203 0.83 MEN1 (0.43) MEN1KMT2ACYP2C9EPHX2LIPE
SCHEMBL4378936 0.82 MEN1 (0.40) MEN1KMT2ACYP2C9EPHX2LIPE
SCHEMBL4387835 0.82 GBA1 (0.41) MEN1KMT2ACYP2C9EPHX2LIPE
SCHEMBL4380318 0.82 MEN1 (0.39) MEN1KMT2ACYP2C9EPHX2LIPE
SCHEMBL4382748 0.81 MEN1 (0.38) MEN1KMT2ACYP2C9EPHX2LIPE
SCHEMBL4392793 0.81 MEN1 (0.41) MEN1KMT2ACYP2C9EPHX2LIPE
SCHEMBL4383731 0.81 MEN1 (0.39) MEN1KMT2ACYP2C9EPHX2LIPE
SCHEMBL4386048 0.81 MEN1 (0.41) MEN1KMT2ACYP2C9EPHX2LIPE
SCHEMBL4393199 0.80 LIPE (0.46) MEN1KMT2ACYP2C9EPHX2LIPE
SCHEMBL4391160 0.80 KMT2A (0.55) MEN1KMT2AGAAALDH1A1EPHX1

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 5 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
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP 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 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.