SCHEMBL4380941

SCHEMBL4380941

O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
LIPE Q05469 4/20 0.38
KDM2B Q8NHM5 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C9 P11712 1/20 0.35
PKM P14618 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RORC P51449 1/20 0.34
SPR P35270 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL4377015 0.87 PKM (0.46) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL4377766 0.84 NR3C1 (0.40) KMT2AMEN1CYP2C9PKMALDH1A1
SCHEMBL4385227 0.82 MEN1 (0.49) LIPEKMT2AMEN1CYP2C9PKM
SCHEMBL4376961 0.81 PKM (0.50) PKMALDH1A1L3MBTL1
SCHEMBL4391227 0.81 SCN9A (0.47) KDM2BKMT2AMEN1CYP2C9PKM
SCHEMBL4381279 0.80 PKM (0.49) KMT2AMEN1CYP2C9PKMALDH1A1
SCHEMBL4378960 0.79 PKM (0.43) KDM2BKCNH2PKMALDH1A1
SCHEMBL4385272 0.79 PKM (0.54) KMT2APKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4380325 0.78 L3MBTL1 (0.35) KMT2AMEN1CYP2C9PKMALDH1A1
SCHEMBL4379527 0.77 PKM (0.37) KMT2AMEN1CYP2D6PKMALDH1A1

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 CHRM1 156/4885LIPE 2501/4885KDM2B 1270/4885

“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.