SCHEMBL4383840

SCHEMBL4383840

N#Cc1ccc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GPR6 P46095 1/20 0.41
CCR6 P51684 1/20 0.40
HSD11B1 P28845 1/20 0.39
CYP3A4 P08684 2/20 0.39
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
EPHX2 P34913 1/20 0.39
ADAM17 P78536 2/20 0.38
MMP1 P03956 1/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38

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
SCHEMBL4381569 0.89 MEN1 (0.40) MEN1KMT2AGPR6CCR6HSD11B1
SCHEMBL4388230 0.89 MEN1 (0.46) MEN1KMT2AGPR6CYP3A4GRM5
SCHEMBL4393199 0.88 LIPE (0.46) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL4380271 0.87 MEN1 (0.42) MEN1KMT2AGPR6EPHX2
SCHEMBL4390246 0.87 MEN1 (0.41) MEN1KMT2AEPHX2CYP2C9PKM
SCHEMBL4388886 0.87 SMN1; SMN2 (0.48) MEN1KMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL4385346 0.86 MEN1 (0.43) MEN1KMT2AGPR6SMN1; SMN2EPHX2
SCHEMBL4377720 0.84 ALDH1A1 (0.52) MEN1KMT2AHSD11B1CYP3A4ALDH1A1
SCHEMBL4383832 0.84 MEN1 (0.43) MEN1KMT2AGPR6HSD11B1SMN1; SMN2
SCHEMBL4380261 0.83 MEN1 (0.42) MEN1KMT2AGPR6HSD11B1EPHX2

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 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.