SCHEMBL2108872

SCHEMBL2108872

CC(=O)OB(O)OC(C)=O.COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
HPGD P15428 4/20 0.56
KCNH2 Q12809 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 1/20 0.56
PRKD3 O94806 1/20 0.56
ALOX15 P16050 1/20 0.56
OPRM1 P35372 1/20 0.56
CLK2 P49760 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GSK3B P49841 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TOP2A P11388 5/20 0.52
TOP2B Q02880 5/20 0.52
LMNA P02545 1/20 0.51
CYP2C19 P33261 1/20 0.48

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
Boric Acid SCHEMBL1155094 0.92 KDM4E (0.62) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL29393776 0.91 KDM4E (0.65) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL483223 0.91 KDM4E (0.65) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL27878366 0.91 KDM4E (0.55) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL541515 0.90 KDM4E (0.64) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL541514 0.90 KDM4E (0.64) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL28424222 0.90 KDM4E (0.64) KDM4EHPGDKCNH2ALDH1A1HSD17B10
Fluoride SCHEMBL5143207 0.89 KDM4E (0.63) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL5455055 0.89 KDM4E (0.63) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL3558935 0.88 KDM4E (0.62) KDM4EHPGDKCNH2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336992-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AG FÜR KOMBINATORISCHE CHEMIE (DE) 2015-11-26 US disclosed
US-9133213-B2 Oxazolidinone-quinolone hybrid antibiotics Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2015-09-15 US disclosed
EP-1709044-B2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AG KOMB CHEMIE (DE) 2013-11-20 EP disclosed
US-20130296275-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AG KOMB CHEMIE (DE) 2013-11-07 US disclosed
US-8513231-B2 Use of oxazolidinone-quinoline hybrid antibiotics for the treatment of anthrax and other infections Morphochem Aktiengesellschaft fü Kombinatorische Chemie (DE) 2013-08-20 US disclosed
US-8501774-B2 Oxazolidinone-quinolone hybrid antibiotics Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2013-08-06 US disclosed
US-20120322766-A1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS MORPHOCHEM AKTIENGESELLSCHAFT FUER KOMBINATORISCHE CHEMIE (DE) 2012-12-20 US disclosed
US-8268812-B2 Use of oxazolidinone-quinoline hybrid antibiotics for the treatment of anthrax and other infections Morphochem Aktiengesellschaft fül Kombinatorische Chemie (DE) 2012-09-18 US disclosed
US-20120142635-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-06-07 US disclosed
US-20120135961-A1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-05-31 US disclosed
US-8158797-B2 Oxazolidinone-quinolone hybrid antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-04-17 US disclosed
EP-1709044-B1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AG KOMB CHEMIE (DE) 2008-07-16 EP disclosed
EP-1620098-B1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS MORPHOCHEM AG KOMB CHEMIE (DE) 2008-06-11 EP disclosed
US-20080027040-A1 Oxazolidinone-Quinolone Hybrid Antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE (DE) 2008-01-31 US disclosed
US-20070155714-A1 Use of oxazolidinone-quinoline hybrid antibiotics for the treatment of anthrax and other infections MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-07-05 US disclosed
EP-1709044-A2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2006-10-11 EP disclosed
EP-1620098-A1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2006-02-01 EP disclosed
WO-2005058888-A2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2005-06-30 WO disclosed
WO-2004096221-A1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-11-11 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 (7 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-20120135961-A1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS OXA1L, ANTXR2, AAAS KDM4E 4287/4885HPGD 213/4885KCNH2 1454/4885
US-20150336992-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A KDM4E 4447/4885HPGD 278/4885KCNH2 2774/4885
US-20120322766-A1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS OXA1L, ANTXR2, AAAS KDM4E 4287/4885HPGD 213/4885KCNH2 1454/4885
US-20070155714-A1 Use of oxazolidinone-quinoline hybrid antibiotics for the treatment of anthrax and other infections OXA1L, ANTXR2, AAAS KDM4E 4287/4885HPGD 213/4885KCNH2 1454/4885
US-20120142635-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A KDM4E 4447/4885HPGD 278/4885KCNH2 2774/4885
US-20080027040-A1 Oxazolidinone-Quinolone Hybrid Antibiotics OXA1L, TOP1, TOP2A KDM4E 4447/4885HPGD 278/4885KCNH2 2774/4885
US-20130296275-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A KDM4E 4447/4885HPGD 278/4885KCNH2 2774/4885

“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.