SCHEMBL4380640

SCHEMBL4380640

O=c1cc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)ccn1Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.40
TP53 P04637 2/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
EPHX2 P34913 1/20 0.34
MCHR1 Q99705 1/20 0.34
HSD11B1 P28845 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL4384892 0.88 LIPE (0.41) LIPETP53SCN9AALDH1A1SMN1; SMN2
SCHEMBL4393199 0.87 LIPE (0.46) LIPESCN9AALDH1A1SMN1; SMN2MEN1
SCHEMBL4395594 0.85 MEN1 (0.39) LIPEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4386218 0.81 LIPE (0.45) LIPETP53SCN9AALDH1A1SMN1; SMN2
SCHEMBL4388886 0.80 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AEPHX2
SCHEMBL4376858 0.79 SMN1; SMN2 (0.38) LIPEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13589005 0.79 MEN1 (0.39) LIPEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4390246 0.78 MEN1 (0.41) LIPEMEN1KMT2AEPHX2
SCHEMBL4383731 0.78 MEN1 (0.39) LIPEMEN1KMT2AEPHX2
SCHEMBL4385346 0.78 MEN1 (0.43) LIPESCN9ASMN1; SMN2MEN1KMT2A

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 2501/4885TP53 4415/4885CASP3 669/4885

“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.