SCHEMBL2109045

SCHEMBL2109045

CC(=O)C(N)[C@@H]1CN(c2ccc(OCC3(O)CCN(C(=O)OCc4ccccc4)C3)c(F)c2)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 2/20 0.34
PDE4B Q07343 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.34
KCNH2 Q12809 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
KDM1A O60341 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL701776 0.96 SMN1; SMN2 (0.37) CYP2C19SMN1; SMN2ALDH1A1ALOX15HSD17B10
SCHEMBL709605 0.87 CALML3 (0.46) RORCPIK3R1PIK3CACYP2C19PDE4B
SCHEMBL1424121 0.87 CALML3 (0.46) RORCPIK3R1PIK3CACYP2C19PDE4B
SCHEMBL709604 0.87 CALML3 (0.46) RORCPIK3R1PIK3CACYP2C19PDE4B
SCHEMBL2109046 0.85 MAOA (0.49)
SCHEMBL541126 0.83 CALML3 (0.47) PIK3R1PIK3CACYP2C19SMN1; SMN2KDM1A
SCHEMBL541127 0.83 CALML3 (0.47) PIK3R1PIK3CACYP2C19SMN1; SMN2KDM1A
SCHEMBL2110478 0.82 GPR119 (0.41) DPP4
SCHEMBL701777 0.81 MAOA (0.51)
SCHEMBL2109811 0.80 HTR6 (0.33) S1PR5

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 RORC 423/4885PIK3R1 4485/4885PIK3CA 3267/4885
US-20150336992-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A RORC 627/4885PIK3R1 2865/4885PIK3CA 1318/4885
US-20120322766-A1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS OXA1L, ANTXR2, AAAS RORC 423/4885PIK3R1 4485/4885PIK3CA 3267/4885
US-20070155714-A1 Use of oxazolidinone-quinoline hybrid antibiotics for the treatment of anthrax and other infections OXA1L, ANTXR2, AAAS RORC 423/4885PIK3R1 4485/4885PIK3CA 3267/4885
US-20120142635-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A RORC 627/4885PIK3R1 2865/4885PIK3CA 1318/4885
US-20080027040-A1 Oxazolidinone-Quinolone Hybrid Antibiotics OXA1L, TOP1, TOP2A RORC 627/4885PIK3R1 2865/4885PIK3CA 1318/4885
US-20130296275-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A RORC 627/4885PIK3R1 2865/4885PIK3CA 1318/4885

“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.