SCHEMBL4388925

SCHEMBL4388925

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCc2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
LIPE Q05469 1/20 0.43
CYP2C9 P11712 1/20 0.43
GAA P10253 1/20 0.42
FFAR1 O14842 1/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP11B1 P15538 1/20 0.40
HSD11B1 P28845 3/20 0.39
PKM P14618 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
SCHEMBL4380572 0.88 MEN1 (0.43) GBA1MEN1KMT2ALIPECYP2C9
SCHEMBL4391160 0.88 KMT2A (0.55) MEN1KMT2AGAAALDH1A1
SCHEMBL4384418 0.87 MRGPRX4 (0.54) GBA1MEN1KMT2ALIPECYP2C9
SCHEMBL4388230 0.85 MEN1 (0.46) MEN1KMT2ACYP2C9GAAALDH1A1
SCHEMBL4383719 0.85 MEN1 (0.42) MEN1KMT2ALIPECYP2C9GAA
SCHEMBL4385286 0.84 CYP2C9 (0.48) MEN1KMT2ALIPECYP2C9GAA
SCHEMBL4383823 0.84 GBA1 (0.46) GBA1MEN1KMT2ALIPECYP2C9
SCHEMBL4380227 0.84 MRGPRX4 (0.56) MEN1KMT2ALIPECYP2C9GAA
SCHEMBL4383670 0.82 CYP2C9 (0.43) MEN1KMT2ALIPECYP2C9GAA
SCHEMBL4385844 0.82 SCN9A (0.52) MEN1KMT2ALIPECYP2C9GAA

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 GBA1 1854/4885MEN1 3694/4885KMT2A 2079/4885

“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.