SCHEMBL2111805

SCHEMBL2111805

CC(=O)NC[C@H]1CN(c2ccc(OCC3(OC(=O)C(N)(CCCCC(=O)OCc4ccccc4)C(=O)OCc4ccccc4)CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.38
TOP2B Q02880 1/20 0.35
CHRM2 P08172 1/20 0.35
DRD1 P21728 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCC4 O15439 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 2/20 0.34
DHFR P00374 1/20 0.34
PTGS1 P23219 2/20 0.33
SDHA P31040 2/20 0.33
CALML3 P27482 1/20 0.33

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
SCHEMBL2107177 0.91 DPP4 (0.41) DPP4TOP2BCHRM2DRD1LMNA
SCHEMBL2111807 0.89 DPP4 (0.38) DPP4TOP2BCHRM2DRD1LMNA
SCHEMBL2111808 0.86 DPP4 (0.41) DPP4TOP2BCHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL2108869 0.85 MAOA (0.41) TOP2BLMNAMAOAMAOBPTGS1
SCHEMBL2108979 0.84 DPP4 (0.41) DPP4TOP2BCHRM2DRD1LMNA
SCHEMBL2110465 0.84 DPP4 (0.42) DPP4TOP2BCHRM2DRD1LMNA
SCHEMBL2111802 0.83 DPP4 (0.38) DPP4TOP2BCHRM2DRD1LMNA
SCHEMBL2110168 0.83 MAOA (0.41) TOP2BLMNAMAOAMAOBPTGS1
SCHEMBL9613172 0.83 DPP4 (0.41) DPP4TOP2BCHRM2DRD1LMNA
SCHEMBL2107285 0.83 DPP4 (0.41) DPP4TOP2BCHRM2DRD1LMNA

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 17 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-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-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 DPP4 1601/4885TOP2B 74/4885CHRM2 4628/4885
US-20150336992-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A DPP4 1036/4885TOP2B 13/4885CHRM2 4878/4885
US-20120322766-A1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS OXA1L, ANTXR2, AAAS DPP4 1601/4885TOP2B 74/4885CHRM2 4628/4885
US-20070155714-A1 Use of oxazolidinone-quinoline hybrid antibiotics for the treatment of anthrax and other infections OXA1L, ANTXR2, AAAS DPP4 1601/4885TOP2B 74/4885CHRM2 4628/4885
US-20120142635-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A DPP4 1036/4885TOP2B 13/4885CHRM2 4878/4885
US-20080027040-A1 Oxazolidinone-Quinolone Hybrid Antibiotics OXA1L, TOP1, TOP2A DPP4 1036/4885TOP2B 13/4885CHRM2 4878/4885
US-20130296275-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A DPP4 1036/4885TOP2B 13/4885CHRM2 4878/4885

“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.