SCHEMBL585355

SCHEMBL585355

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46
OPRM1 P35372 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TOP2A P11388 6/20 0.43
TOP2B Q02880 6/20 0.43
GSK3B P49841 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2845822 1.00 KCNH2 (0.46) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL584972 0.91 ADRB2 (0.46) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2838588 0.91 ADRB2 (0.46) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2843256 0.90 KCNH2 (0.41) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2837867 0.89 GSK3B (0.41) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL585403 0.89 GSK3B (0.41) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL584762 0.88 HSD17B10 (0.45) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2531161 0.88 HSD17B10 (0.45) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2842839 0.81 ADRB2 (0.40) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4723488 0.81 KCNH2 (0.43) KCNH2KDM4EALDH1A1HPGDHSD17B10

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 KCNH2 594/4885KDM4E 1273/4885ALDH1A1 698/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 KCNH2 394/4885KDM4E 2548/4885ALDH1A1 2770/4885

“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.