SCHEMBL585354

SCHEMBL585354

C=C1C[C@@H](COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c23)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.44
TOP2A P11388 6/20 0.44
TOP2B Q02880 6/20 0.44
GSK3B P49841 2/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
PRKD3 O94806 1/20 0.43
ALOX15 P16050 1/20 0.43
OPRM1 P35372 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL585353 1.00 KCNH2 (0.44) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL2845820 1.00 KCNH2 (0.44) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL584971 0.91 ADRB2 (0.47) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL584970 0.91 ADRB2 (0.47) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL2838587 0.91 ADRB2 (0.47) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL2843254 0.90 KCNH2 (0.41) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL2843251 0.90 KCNH2 (0.41) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL585402 0.89 STAT3 (0.43) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL2837862 0.89 STAT3 (0.43) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL585401 0.89 STAT3 (0.43) KCNH2TOP2ATOP2BGSK3BKDM4E

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 6 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

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 594/4885TOP2A 3924/4885TOP2B 4680/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 KCNH2 394/4885TOP2A 4672/4885TOP2B 4842/4885

“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.