SCHEMBL352111

SCHEMBL352111

Cn1nc(C(C)(C)C)cc1C(=O)COC(=O)C(C)(C)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 5/20 0.47
GRN P28799 4/20 0.46
SORT1 Q99523 4/20 0.46
KDM4E B2RXH2 1/20 0.46
CNR2 P34972 2/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 1/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL351492 0.91 GRN (0.48) PHGDHGRNSORT1KDM4ECNR2
SCHEMBL353275 0.89 CNR2 (0.57) PHGDHGRNSORT1KDM4ECNR2
SCHEMBL352601 0.83 CNR2 (0.43) PHGDHGRNSORT1KDM4ECNR2
SCHEMBL351695 0.81 CNR2 (0.52) PHGDHGRNSORT1KDM4ECNR2
SCHEMBL352166 0.76 GRN (0.42) GRNSORT1KDM4ECNR2MAPT
SCHEMBL1465546 0.73 CNR2 (0.78) PHGDHGRNSORT1KDM4ECNR2
SCHEMBL351963 0.73 CNR2 (0.44) GRNSORT1KDM4ECNR2CNR1
SCHEMBL766844 0.72 NOD2 (0.44) PHGDHKDM4ECNR2ALDH1A1MAPT
SCHEMBL352451 0.70 CNR2 (0.66) GRNSORT1KDM4ECNR2MAPT
SCHEMBL13545145 0.68 GRN (0.67) GRNSORT1KDM4ECNR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 PHGDH 3284/4885GRN 4810/4885SORT1 2723/4885

“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.