SCHEMBL4385890

SCHEMBL4385890

COc1cccc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.42
CYP3A4 P08684 1/20 0.41
GRM5 P41594 1/20 0.41
GBA1 P04062 2/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
SCN9A Q15858 2/20 0.39
PKM P14618 2/20 0.39
PKLR P30613 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 1/20 0.37
HSD11B1 P28845 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 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
SCHEMBL4544115 0.87 GBA1 (0.41) GBA1KMT2AMEN1SCN9ACYP2C9
SCHEMBL4380175 0.85 MEN1 (0.46) CYP3A4GRM5GBA1KMT2AMEN1
SCHEMBL4379123 0.83 PRCP (0.47) GBA1KMT2AMEN1PKMCYP2C9
SCHEMBL4392776 0.82 HSD11B1 (0.41) KMT2AMEN1PKMPKLRNPC1
SCHEMBL4376809 0.82 HDAC3 (0.40) CYP3A4GRM5KMT2AMEN1PKM
SCHEMBL4385837 0.82 LMNA (0.41) CYP3A4GRM5KMT2AMEN1CYP2C9
SCHEMBL4377024 0.81 LMNA (0.38) CYP3A4GRM5GBA1KMT2AMEN1
SCHEMBL4382788 0.81 GBA1 (0.48) GBA1KMT2AMEN1CYP2C9HTR1A
SCHEMBL4385376 0.81 EGLN1 (0.38) KMT2AMEN1PKMPKLRNPC1
SCHEMBL4388046 0.81 SCN9A (0.44) GBA1SCN9AALDH1A1

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 5 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
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP 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 CHRM4 142/4885CYP3A4 108/4885GRM5 1500/4885

“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.