SCHEMBL4385591

SCHEMBL4385591

O=S(=O)(c1cccc(F)c1)N1CCC(=NOCc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 4/20 0.45
MAPK1 P28482 1/20 0.44
PKLR P30613 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GFER P55789 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL4380815 0.90 GAA (0.53) CYP2C19SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL8217789 0.89 KMT2A (0.44) SMN1; SMN2ALDH1A1MAPTCYP2C9PKM
SCHEMBL4380726 0.87 ALDH1A1 (0.51) CYP2C19SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL4379571 0.87 CYP2C19 (0.56) CYP2C19SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL4376967 0.85 ALDH1A1 (0.56) CYP2C19SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL4380383 0.81 CYP2C19 (0.46) CYP2C19SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL4388886 0.78 SMN1; SMN2 (0.48) CYP2C19SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL4387319 0.77 ALDH1A1 (0.47) CYP2C19SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL4380104 0.77 ALDH1A1 (0.50) CYP2C19SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL4387323 0.75 ALDH1A1 (0.48) CYP2C19SMN1; SMN2GAAALDH1A1MAPT

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 CYP2C19 162/4885SMN1; SMN2 664/4885GAA 3245/4885

“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.