SCHEMBL7030007

SCHEMBL7030007

O=S(=O)(Oc1ccc2c(c1-c1c(OS(=O)(=O)C(F)(F)F)ccc3c1CCCC3)CCCC2)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
CES1 P23141 5/20 0.41
HTR1D P28221 2/20 0.39
DRD3 P35462 2/20 0.39

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
SCHEMBL16812540 0.88 DRD2 (0.35) DRD2CES1HTR1DDRD3
SCHEMBL9007737 0.88 DRD2 (0.48) DRD2CES1HTR1DDRD3
SCHEMBL7107742 0.85 DRD2 (0.36) DRD2CES1HTR1DDRD3
SCHEMBL23336944 0.85 DRD2 (0.38) DRD2CES1HTR1DDRD3
SCHEMBL7027415 0.84 DRD2 (0.37) DRD2CES1HTR1DDRD3
SCHEMBL1506665 0.84 DRD2 (0.37) DRD2CES1HTR1DDRD3
SCHEMBL15203251 0.82 DRD2 (0.36) DRD2HTR1DDRD3
SCHEMBL12533492 0.82 DRD2 (0.38) DRD2HTR1DDRD3
SCHEMBL1820878 0.81 DRD2 (0.53) DRD2HTR1DDRD3
SCHEMBL14972506 0.80 DRD2 (0.35) DRD2HTR1DDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512155-B2 Chiral phosphines for palladium-catalyzed asymmetric α-arylation of ester enolates to produce tertiary stereocenters in high enantioselectivity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-12-06 US disclosed
US-9512155-B2 Chiral phosphines for palladium-catalyzed asymmetric α-arylation of ester enolates to produce tertiary stereocenters in high enantioselectivity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-12-06 US disclosed
US-9512155-B2 Chiral phosphines for palladium-catalyzed asymmetric α-arylation of ester enolates to produce tertiary stereocenters in high enantioselectivity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-12-06 US disclosed
US-20150166586-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-06-18 US disclosed
US-20150166586-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-06-18 US disclosed
US-20150166586-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-06-18 US disclosed
WO-2013028132-A9 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-08-22 WO disclosed
WO-2013028132-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-28 WO disclosed
EP-0839819-B1 Method of preparing optically active diphosphine ligands TAKASAGO PERFUMERY CO LTD (JP) 2003-09-17 EP disclosed
EP-0684249-B1 Phosphine compounds, complexes containing the phosphine compounds as ligands, and process for producing optically active aldehydes using the phosphine compounds or complexes TAKASAGO PERFUMERY CO LTD (JP) 2003-02-19 EP disclosed
EP-0684230-B1 4- (R)-1'-formylethyl azetidin-2-one derivatives TAKASAGO PERFUMERY CO LTD (JP) 2002-07-03 EP disclosed
EP-0614903-B1 Process for producing optically active aldehydes using transition metal-phosphine complexes, and process for producing intermediates for carbapenem antibiotics using the same complexes TAKASAGO PERFUMERY CO LTD (JP) 2000-09-20 EP disclosed
US-5922918-A Method for making an optically active diphosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-07-13 US disclosed
EP-0839819-A1 Method of preparing optically active diphosphine ligands Takasago International Corporation (JP) 1998-05-06 EP disclosed
EP-0614902-B1 Phosphine compounds and transition metal-phosphine complexes containing them as ligands TAKASAGO PERFUMERY CO LTD (JP) 1997-06-11 EP disclosed
US-5530150-A HAVING PHOSPHINE AND PHOSPHITE GROUPS IN SAME MOLECULE; CATALYST SELECTIVITY TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-06-25 US disclosed
EP-0684249-A1 Phosphine compounds, complexes containing the phosphine compounds as ligands, and process for producing optically active aldehydes using the phosphine compounds or complexes Takasago International Corporation (JP) 1995-11-29 EP disclosed
EP-0684230-A1 4- (R)-1'-formylethyl azetidin-2-one derivatives Takasago International Corporation (JP) 1995-11-29 EP disclosed
EP-0614902-A1 Phosphine compounds and transition metal-phosphine complexes containing them as ligands Takasago International Corporation (JP) 1994-09-14 EP disclosed
EP-0614903-A2 Phosphine compounds, complexes containing the phosphine compounds as ligands, process for producing optically active aldehydes using the phosphine compounds, or complexes, and 4-[(R)-1' formylethyl]azetidin-2-one derivatives Takasago International Corporation (JP) 1994-09-14 EP 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 (1 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-20150166586-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY EPHA8, DAGLA, TEC DRD2 2230/4885CES1 1096/4885HTR1D 2779/4885

“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.