SCHEMBL4384605

SCHEMBL4384605

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(O)(O)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 2/20 0.52
HSP90AA1 P07900 1/20 0.52
HSD11B1 P28845 1/20 0.51
MEN1 O00255 1/20 0.50
EPHX2 P34913 1/20 0.50
PARL Q9H300 1/20 0.50
FAAH O00519 2/20 0.48
GPR183 P32249 1/20 0.48

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
SCHEMBL13353686 0.88 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL16912993 0.86 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL1519692 0.85 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL13353683 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL25332920 0.82 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL7485956 0.82 ALDH1A1 (0.79) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL21681941 0.82 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL12386396 0.81 KDM4E (0.71) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL1269605 0.80 ALDH1A1 (0.82) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL3691866 0.80 ALDH1A1 (0.82) SMN1; SMN2ALDH1A1LMNAHTTKMT2A

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
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 SMN1; SMN2 664/4885ALDH1A1 2105/4885LMNA 3822/4885

“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.