SCHEMBL2109811

SCHEMBL2109811

CC(=O)C(N)[C@@H]1CN(c2ccc(OCC3(OC(=O)CCC(=O)OCc4ccccc4)CCNCC3)c(F)c2)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.33
S1PR5 Q9H228 1/20 0.32
CALML3 P27482 1/20 0.32
MAOA P21397 2/20 0.31
PTGS1 P23219 1/20 0.31
SDHA P31040 1/20 0.31
HPGD P15428 1/20 0.31
MAOB P27338 1/20 0.30
GRM2 Q14416 1/20 0.30

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
Hydrochloric Acid SCHEMBL2107174 0.89
SCHEMBL5981764 0.87
SCHEMBL2109814 0.86 MAOA (0.46) CALML3MAOAPTGS1SDHAMAOB
SCHEMBL2107172 0.84 KLK7 (0.38)
Hydrochloric Acid SCHEMBL2108864 0.83 KLK7 (0.37)
SCHEMBL701776 0.81 SMN1; SMN2 (0.37) S1PR5
SCHEMBL2109045 0.80 RORC (0.35) S1PR5
Hydrochloric Acid SCHEMBL2108869 0.77 MAOA (0.41) CALML3MAOAPTGS1SDHAMAOB
Hydrochloric Acid SCHEMBL2108867 0.76 PTGS1 (0.42) CALML3MAOAPTGS1SDHAMAOB
SCHEMBL6052837 0.76 PTGS1 (0.41) CALML3MAOAPTGS1SDHAMAOB

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
EP-1709044-B2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AG KOMB CHEMIE (DE) 2013-11-20 EP 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 (6 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 HTR6 3975/4885S1PR5 4822/4885CALML3 2361/4885
US-20150336992-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A HTR6 4742/4885S1PR5 4868/4885CALML3 3504/4885
US-20120322766-A1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS OXA1L, ANTXR2, AAAS HTR6 3975/4885S1PR5 4822/4885CALML3 2361/4885
US-20070155714-A1 Use of oxazolidinone-quinoline hybrid antibiotics for the treatment of anthrax and other infections OXA1L, ANTXR2, AAAS HTR6 3975/4885S1PR5 4822/4885CALML3 2361/4885
US-20120142635-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A HTR6 4742/4885S1PR5 4868/4885CALML3 3504/4885
US-20080027040-A1 Oxazolidinone-Quinolone Hybrid Antibiotics OXA1L, TOP1, TOP2A HTR6 4742/4885S1PR5 4868/4885CALML3 3504/4885

“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.