SCHEMBL4393199

SCHEMBL4393199

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCc2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.46
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN9A Q15858 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
EPHX2 P34913 1/20 0.41
PKM P14618 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL4390246 0.91 MEN1 (0.41) LIPEMEN1KMT2AEPHX2PKM
SCHEMBL4388886 0.91 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AEPHX2
SCHEMBL4384892 0.88 LIPE (0.41) LIPEALDH1A1SMN1; SMN2SCN9AMEN1
SCHEMBL4386218 0.88 LIPE (0.45) LIPEALDH1A1SMN1; SMN2SCN9AMEN1
SCHEMBL4377720 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL4383840 0.88 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AEPHX2
SCHEMBL4380640 0.87 LIPE (0.40) LIPEALDH1A1SMN1; SMN2SCN9AMEN1
SCHEMBL13589005 0.85 MEN1 (0.39) LIPEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4381887 0.85 HDAC3 (0.42) LIPESCN9AMEN1KMT2AEPHX2
SCHEMBL4380318 0.85 MEN1 (0.39) LIPESMN1; SMN2MEN1KMT2AEPHX2

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 LIPE 2501/4885ALDH1A1 2105/4885SMN1; SMN2 664/4885

“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.