SCHEMBL4377040

SCHEMBL4377040

O=S(=O)(c1ccc(NCCO)cc1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 3/20 0.44
TRPV4 Q9HBA0 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 1/20 0.41
XBP1 P17861 1/20 0.40
MMP1 P03956 1/20 0.39
ADAM17 P78536 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
Hydrochloric Acid SCHEMBL4383679 0.99 LMNA (0.49) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL8219759 0.92 MEN1 (0.52) LMNASMN1; SMN2MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL4390901 0.91 MEN1 (0.51) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL8219003 0.91 LMNA (0.49) LMNASMN1; SMN2MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL4379151 0.90 LMNA (0.49) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL4391011 0.88 LMNA (0.54) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL13588989 0.86 PLA2G1B (0.44) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL4385767 0.86 TP53 (0.53) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL4379552 0.86 LMNA (0.52) LMNASMN1; SMN2MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL4383576 0.85 PLA2G1B (0.43) LMNASMN1; SMN2MAPTKMT2AALDH1A1

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 5 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

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 LMNA 3822/4885SMN1; SMN2 664/4885MAPT 4378/4885

“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.