SCHEMBL4163689

SCHEMBL4163689

CS(=O)(=O)OC[C@H]1CN(c2cccc(F)c2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.60
FADS1 O60427 2/20 0.52
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL3181922 1.00 GRM2 (0.60) GRM2FADS1MAOAMAOB
SCHEMBL7116724 0.88 GRM2 (0.45) GRM2MAOB
SCHEMBL7116727 0.88 GRM2 (0.45) GRM2MAOB
SCHEMBL8860802 0.86 GRM2 (0.55) GRM2FADS1MAOAMAOB
SCHEMBL8594767 0.86 GRM2 (0.55) GRM2FADS1MAOAMAOB
SCHEMBL6967219 0.85 GRM2 (0.57) GRM2FADS1
SCHEMBL6957780 0.85 GRM2 (0.57) GRM2FADS1
SCHEMBL6960959 0.85 GRM2 (0.57) GRM2FADS1
SCHEMBL7293545 0.85 GRM2 (0.62) GRM2MAOAMAOB
SCHEMBL8799676 0.85 GRM2 (0.65) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660465-B1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES MELINTA THERAPEUTICS INC (US) 2014-12-17 EP disclosed
EP-1660465-B1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES MELINTA THERAPEUTICS INC (US) 2014-12-17 EP disclosed
US-8895741-B2 Process for the synthesis of biaryl oxazolidinones MELINTA THERAPEUTICS, INC. (US) 2014-11-25 US disclosed
US-20130066076-A1 Process for the Synthesis of Biaryl Oxazolidinones MELINTA SUBSIDIARY CORP. 2013-03-14 US disclosed
US-8324398-B2 Process for the synthesis of biaryl oxazolidinones RIB-X PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES RIB-X PHARMACEUTICALS, INC. (US) 2010-01-28 US disclosed
US-20090105484-A1 PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OXAZOLIDINONES AS INTERMEDIATES FOR ANTIBACTERIAL AGENTS ASTRAZENECA (SE) 2009-04-23 US disclosed
US-20090105484-A1 PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OXAZOLIDINONES AS INTERMEDIATES FOR ANTIBACTERIAL AGENTS ASTRAZENECA (SE) 2009-04-23 US disclosed
US-20070270357-A1 Bifunctional Macrolide Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. 2007-11-22 US disclosed
US-20070270357-A1 Bifunctional Macrolide Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. 2007-11-22 US disclosed
EP-1753751-A1 PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OXAZOLIDINONES AS INTERMEDIATES FOR ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2007-02-21 EP disclosed
US-7129259-B2 Halogenated biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2006-10-31 US disclosed
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same CHEN SHILI 2006-07-06 US disclosed
WO-2005116017-A1 PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OXAZOLIDINONES AS INTERMEDIATES FOR ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed
US-20050153971-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-07-14 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 (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-20050153971-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PROKR1, PROKR2, PCNA GRM2 4023/4885FADS1 1524/4885MAOA 1365/4885
US-20130066076-A1 Process for the Synthesis of Biaryl Oxazolidinones PCNA, PGC, SBDS GRM2 3664/4885FADS1 1565/4885MAOA 1272/4885
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PCNA, PROKR1, BCOR GRM2 3957/4885FADS1 1504/4885MAOA 1171/4885
US-20090105484-A1 PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OXAZOLIDINONES AS INTERMEDIATES FOR ANTIBACTERIAL AGENTS OXA1L, INTS6, CYP2F1 GRM2 3703/4885FADS1 3728/4885MAOA 898/4885
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES PCNA, PGC, MKI67 GRM2 3325/4885FADS1 1421/4885MAOA 824/4885
US-20070270357-A1 Bifunctional Macrolide Heterocyclic Compounds and Methods of Making and Using the Same PAICS, MAP2K4, GIPR GRM2 4501/4885FADS1 2364/4885MAOA 1209/4885

“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.