SCHEMBL4390219

SCHEMBL4390219

CN1CCc2ccccc2C1c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.48
PRCP P42785 1/20 0.45
DRD1 P21728 5/20 0.40
DRD4 P21917 3/20 0.40
DRD5 P21918 3/20 0.40
DRD3 P35462 3/20 0.40
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 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
SCHEMBL4391667 0.81 PRCP (0.51) DRD2PRCPDRD1HDAC3HDAC1
SCHEMBL4117178 0.78 PRCP (0.42) DRD2PRCPCYP1A2CYP2D6CYP2C9
SCHEMBL12311999 0.76 DRD2 (0.61) DRD2PRCPDRD1DRD4DRD5
SCHEMBL11948854 0.75 PRCP (0.55) DRD2PRCPDRD1HDAC3HDAC1
SCHEMBL4388627 0.74 PRCP (0.54) DRD2PRCPDRD1DRD4DRD5
SCHEMBL4544071 0.72 PRCP (0.51) DRD2PRCPDRD1HDAC3HDAC1
SCHEMBL11956302 0.72 PRCP (0.51) DRD2PRCPDRD1HDAC3HDAC1
SCHEMBL13189225 0.72 DRD2 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4117057 0.71 GRIN2D (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16264959 0.70 PTGS1 (0.36) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-12-10 US disclosed
WO-2007098608-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASSYMETRIC REACTIONS LI CHAO-JUN (CA) 2007-09-07 WO disclosed
WO-2007098608-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASSYMETRIC REACTIONS LI CHAO-JUN (CA) 2007-09-07 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 (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-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OR10J3, C1R, C3AR1 DRD2 615/4885PRCP 2207/4885DRD1 962/4885

“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.