SCHEMBL4393052

SCHEMBL4393052

O=S(=O)(c1ccc(OCC2CC2)cc1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MMP1 P03956 1/20 0.46
ADAM17 P78536 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.41
F2 P00734 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
ADAMTS5 Q9UNA0 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
SCHEMBL4385647 0.88 LMNA (0.51) LMNASMN1; SMN2MMP1ADAM17ALDH1A1
SCHEMBL4391011 0.87 LMNA (0.54) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4376947 0.87 LMNA (0.51) LMNASMN1; SMN2MMP1ADAM17ALDH1A1
SCHEMBL4387315 0.86 LMNA (0.52) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4391160 0.86 KMT2A (0.55) LMNASMN1; SMN2MMP1ADAM17ALDH1A1
SCHEMBL4380293 0.86 LMNA (0.51) LMNASMN1; SMN2MMP1ADAM17ALDH1A1
SCHEMBL4383663 0.85 LMNA (0.49) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4385767 0.85 TP53 (0.53) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4379552 0.85 LMNA (0.52) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4387475 0.84 LMNA (0.51) LMNASMN1; SMN2ALDH1A1MAPTHTT

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
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US 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 664/4885MMP1 4626/4885

“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.