SCHEMBL584986

SCHEMBL584986

C=C1CNC([C@H](Oc2c(F)c(F)cc3c(=O)c(C(=O)OCC)cn(CC)c23)C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
KMT2A Q03164 2/20 0.39
STAT3 P40763 1/20 0.39
PMP22 Q01453 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRB2 P07550 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33
TOP2B Q02880 1/20 0.32

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
SCHEMBL584762 0.92 HSD17B10 (0.45) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2531161 0.92 HSD17B10 (0.45) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2527145 0.91 STAT3 (0.41) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL583952 0.91 STAT3 (0.41) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2838588 0.90 ADRB2 (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL584972 0.90 ADRB2 (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2837867 0.80 GSK3B (0.41) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL585403 0.80 GSK3B (0.41) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2845822 0.80 KCNH2 (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL585355 0.80 KCNH2 (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A

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 10 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-2102217-A2 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS Actelion Pharmaceuticals Ltd. (CH) 2009-09-23 EP disclosed
EP-1931684-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-06-18 EP disclosed
WO-2008062379-A2 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2008-05-29 WO 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 KDM4E 1273/4885ALDH1A1 698/4885HPGD 1938/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 KDM4E 2548/4885ALDH1A1 2770/4885HPGD 3687/4885

“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.