SCHEMBL8219003

SCHEMBL8219003

NCCNc1ccc(S(=O)(=O)N2CCC(=NOCc3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.42
TRPV4 Q9HBA0 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 1/20 0.39
TP53 P04637 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
XBP1 P17861 1/20 0.38
PLA2G1B P04054 1/20 0.38
PKM P14618 1/20 0.38
ATG4B Q9Y4P1 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
Hydrochloric Acid SCHEMBL4379151 0.99 LMNA (0.49) LMNASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL4377040 0.91 LMNA (0.49) LMNASMN1; SMN2MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL4383679 0.90 LMNA (0.49) LMNASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL4391011 0.88 LMNA (0.54) LMNASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL8218333 0.87 LMNA (0.54) LMNASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL4387475 0.87 LMNA (0.51) LMNASMN1; SMN2MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL4393169 0.86 LMNA (0.53) LMNASMN1; SMN2MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL4383806 0.86 LMNA (0.51) LMNASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL4385767 0.86 TP53 (0.53) LMNASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL4379552 0.86 LMNA (0.52) LMNASMN1; SMN2MAPTALDH1A1HTT

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
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.