SCHEMBL4383796

SCHEMBL4383796

CN1CCOc2cc(S(=O)(=O)N3CCC(=NOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
SCN9A Q15858 1/20 0.48
PKM P14618 9/20 0.46
PKLR P30613 7/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
USP9X Q93008 1/20 0.42
GBA1 P04062 1/20 0.39
RORC P51449 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
LMNA P02545 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL4391138 0.83 PKM (0.54) PKMPKLRNPC1RAB9ALMNA
SCHEMBL4381279 0.81 PKM (0.49) ALDH1A1PKMLMNAKDM4E
SCHEMBL4385228 0.79 PKM (0.44) ALDH1A1PKMPKLRLMNA
SCHEMBL4392624 0.78 GAA (0.40) ALDH1A1PKMPKLRLMNACYP2C19
SCHEMBL4393934 0.78 PKM (0.58) HTTALDH1A1PKMLMNACYP2C19
SCHEMBL4393768 0.77 KMT2A (0.47) PKMPKLRNPC1
SCHEMBL4391478 0.76 PKM (0.52) HTTALDH1A1PKMPKLRNPC1
SCHEMBL4382575 0.76 KMT2A (0.52) HTTALDH1A1PKMLMNA
SCHEMBL4380728 0.75 GAA (0.51) ALDH1A1PKMKDM4E
SCHEMBL4379004 0.74 SCN9A (0.44) ALDH1A1SCN9APKMPKLRLMNA

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 HTT 4042/4885ALDH1A1 2105/4885RECQL 1746/4885

“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.