SCHEMBL584971

SCHEMBL584971

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
STAT3 P40763 1/20 0.40
KCNH2 Q12809 4/20 0.37
TOP2A P11388 5/20 0.36
TOP2B Q02880 5/20 0.36
GSK3B P49841 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
PRKD3 O94806 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL584970 1.00 ADRB2 (0.47) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL2838587 1.00 ADRB2 (0.47) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL585353 0.91 KCNH2 (0.44) KCNH2TOP2ATOP2BGSK3BKMT2A
SCHEMBL2845820 0.91 KCNH2 (0.44) KCNH2TOP2ATOP2BGSK3BKMT2A
SCHEMBL585354 0.91 KCNH2 (0.44) KCNH2TOP2ATOP2BGSK3BKMT2A
SCHEMBL2842832 0.90 ADRB2 (0.40) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL2842834 0.90 ADRB2 (0.40) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL585402 0.90 STAT3 (0.43) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL2837862 0.90 STAT3 (0.43) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL585401 0.90 STAT3 (0.43) ADRB2STAT3KCNH2TOP2ATOP2B

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 ADRB2 1252/4885STAT3 4566/4885KCNH2 594/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 ADRB2 1777/4885STAT3 4545/4885KCNH2 394/4885

“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.