SCHEMBL4379436

SCHEMBL4379436

N#Cc1cccc(C(CO)ON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GPR6 P46095 1/20 0.40
CYP2C9 P11712 1/20 0.39
AKR1C3 P42330 1/20 0.38
SCN9A Q15858 2/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 2/20 0.36
LIPE Q05469 1/20 0.36
EPHX1 P07099 1/20 0.36
ADAM17 P78536 1/20 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
SCHEMBL4379541 0.90 MEN1 (0.41) MEN1KMT2AGPR6CYP2C9AKR1C3
SCHEMBL4379516 0.89 MEN1 (0.40) MEN1KMT2AGPR6CYP2C9AKR1C3
SCHEMBL4386294 0.89 MEN1 (0.40) MEN1KMT2AGPR6CYP2C9AKR1C3
SCHEMBL4393229 0.87 MEN1 (0.39) MEN1KMT2AGPR6GAAALDH1A1
SCHEMBL4386283 0.86 MEN1 (0.38) MEN1KMT2AGPR6CYP2C9AKR1C3
SCHEMBL4382730 0.85 MEN1 (0.42) MEN1KMT2AGPR6CYP2C9AKR1C3
SCHEMBL4382938 0.84 MEN1 (0.41) MEN1KMT2AGPR6CYP2C9AKR1C3
SCHEMBL4395257 0.82 CYP11B1 (0.43) MEN1KMT2AGPR6AKR1C3
SCHEMBL2289643 0.82 MEN1 (0.39) MEN1KMT2AGPR6CYP2C9AKR1C3
SCHEMBL4388230 0.82 MEN1 (0.46) MEN1KMT2AGPR6CYP2C9AKR1C3

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 6 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
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 2079/4885GPR6 574/4885

“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.