SCHEMBL585403

SCHEMBL585403

C=C1CN[C@H](C(Oc2c(F)c(F)cc3c(=O)c(C(=O)OCc4ccccc4)cn(C4CC4)c23)C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
STAT3 P40763 1/20 0.41
ADRB2 P07550 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KCNH2 Q12809 3/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TOP2A P11388 5/20 0.36
TOP2B Q02880 5/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL2837867 1.00 GSK3B (0.41) GSK3BSTAT3ADRB2KDM4EALDH1A1
SCHEMBL2840348 0.92 GSK3B (0.38) GSK3BSTAT3ADRB2KDM4EALDH1A1
SCHEMBL2838588 0.90 ADRB2 (0.46) GSK3BSTAT3ADRB2KDM4EALDH1A1
SCHEMBL584972 0.90 ADRB2 (0.46) GSK3BSTAT3ADRB2KDM4EALDH1A1
SCHEMBL583952 0.90 STAT3 (0.41) STAT3KDM4EALDH1A1TDP1HPGD
SCHEMBL2527145 0.90 STAT3 (0.41) STAT3KDM4EALDH1A1TDP1HPGD
SCHEMBL2845822 0.89 KCNH2 (0.46) GSK3BKDM4EALDH1A1KCNH2POLB
SCHEMBL585355 0.89 KCNH2 (0.46) GSK3BKDM4EALDH1A1KCNH2POLB
SCHEMBL2842839 0.83 ADRB2 (0.40) GSK3BADRB2KDM4EALDH1A1KCNH2
SCHEMBL2843256 0.81 KCNH2 (0.41) GSK3BKDM4EALDH1A1KCNH2POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US claimed
EP-2102217-B1 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-8039466-B2 5-hydroxymethyl-oxazolidin-2-one antibacterials ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US disclosed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US disclosed
US-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS ACTELION PHARMACEUTICALS, LTD. (CH) 2010-03-18 US disclosed
EP-1931684-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-06-18 EP disclosed
WO-2007017828-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-02-15 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 (2 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-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS OGFOD1, ODC1, OXGR1 GSK3B 3710/4885STAT3 4566/4885ADRB2 1252/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 GSK3B 4330/4885STAT3 4545/4885ADRB2 1777/4885

“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.