SCHEMBL4385228

SCHEMBL4385228

O=S(=O)(c1ccc(F)c(F)c1)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.44
GAA P10253 2/20 0.42
PKLR P30613 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4381279 0.91 PKM (0.49) PKMGAAKMT2AMEN1ALDH1A1
SCHEMBL4379004 0.87 SCN9A (0.44) PKMGAAPKLRMAPK1KMT2A
SCHEMBL4382575 0.87 KMT2A (0.52) PKMGAAKMT2AMEN1ALDH1A1
SCHEMBL4392624 0.87 GAA (0.40) PKMGAAPKLRMAPK1KMT2A
SCHEMBL4393768 0.86 KMT2A (0.47) PKMGAAPKLRKMT2AMEN1
SCHEMBL4380728 0.86 GAA (0.51) PKMGAAKMT2AMEN1ALDH1A1
SCHEMBL4385272 0.85 PKM (0.54) PKMKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL4393934 0.85 PKM (0.58) PKMGAAMAPK1KMT2AALDH1A1
SCHEMBL4391138 0.84 PKM (0.54) PKMGAAPKLRMAPK1SMN1; SMN2
SCHEMBL4391478 0.83 PKM (0.52) PKMGAAPKLRKMT2AMEN1

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 PKM 2106/4885GAA 3245/4885PKLR 985/4885

“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.