SCHEMBL541196

SCHEMBL541196

CC(NC(=O)OC(C)(C)C)C(=O)OCC1CN(c2ccc(OCC3(O)CCN(c4cc5c(cc4F)c(=O)c(C(=O)OCc4ccccc4)cn5C4CC4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 3/20 0.40
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
CYP1A2 P05177 1/20 0.34
TOP2A P11388 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL541195 1.00 TOP2B (0.40) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL712257 0.93 TOP2B (0.41) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL712258 0.93 TOP2B (0.41) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL541405 0.93 KDM4E (0.43) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL541406 0.93 KDM4E (0.43) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL712051 0.89 TOP2B (0.41) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL541887 0.87 TOP2B (0.43) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL711428 0.87 TOP2B (0.43) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL712437 0.85 KDM4E (0.45) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL712438 0.85 KDM4E (0.45) TOP2BKDM4EALDH1A1LMNAHPGD

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-8124623-B2 5-hydroxymethyl-oxazolidin-2-one-derivatives and their uses as antibacterials ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-28 US disclosed
EP-2086968-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-08 EP disclosed
US-20090247578-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE-DERIVATIVES AND THEIR USES AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-01 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-20090247578-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE-DERIVATIVES AND THEIR USES AS ANTIBACTERIALS OGFOD1, OXGR1, ODC1 TOP2B 4619/4885KDM4E 1365/4885ALDH1A1 1227/4885

“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.