SCHEMBL4391138

SCHEMBL4391138

O=S(=O)(c1ccc2c(c1)OCO2)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 11/20 0.54
PKLR P30613 9/20 0.54
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GLRA3 O75311 3/20 0.45
GLRB P48167 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM4 P08173 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL4381279 0.86 PKM (0.49) PKMLMNACYP2C9KDM4EGAA
SCHEMBL4385228 0.84 PKM (0.44) PKMPKLRLMNACYP2C9GAA
SCHEMBL4383796 0.83 HTT (0.52) PKMPKLRLMNANPC1RAB9A
SCHEMBL4392624 0.82 GAA (0.40) PKMPKLRLMNACYP1A2CYP2C9
SCHEMBL4393768 0.82 KMT2A (0.47) PKMPKLRNPC1CYP2C9GAA
SCHEMBL4382575 0.81 KMT2A (0.52) PKMLMNAGAASMN1; SMN2
SCHEMBL4393934 0.80 PKM (0.58) PKMLMNACYP3A4CYP2C19KDM4E
SCHEMBL4380728 0.79 GAA (0.51) PKMCYP2C9KDM4EGAA
SCHEMBL4391478 0.79 PKM (0.52) PKMPKLRLMNANPC1RAB9A
SCHEMBL4379004 0.79 SCN9A (0.44) PKMPKLRLMNACYP2C9KDM4E

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 PKM 2106/4885PKLR 985/4885LMNA 3822/4885

“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.