SCHEMBL352601

SCHEMBL352601

Cn1nc(C(C)(C)C)cc1C(=O)COC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
GRN P28799 5/20 0.42
SORT1 Q99523 5/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.39
MAPK13 O15264 1/20 0.37
MAPT P10636 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
CTSB P07858 2/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
CTSV O60911 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 2/20 0.35
PHGDH O43175 1/20 0.34
CCR8 P51685 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
SCHEMBL353275 0.87 CNR2 (0.57) CNR2GRNSORT1KDM4ENPC1
SCHEMBL352111 0.83 PHGDH (0.47) CNR2GRNSORT1KDM4EMAPT
SCHEMBL351492 0.81 GRN (0.48) CNR2GRNSORT1KDM4EMAPT
SCHEMBL1463606 0.76 CNR2 (0.74) CNR2MAPK13MAPTMAPK12MAPK11
SCHEMBL1464782 0.75 ABCB11 (0.46) CNR2MAPTALDH1A1
SCHEMBL352166 0.72 GRN (0.42) CNR2GRNSORT1KDM4EMAPK13
SCHEMBL351963 0.69 CNR2 (0.44) CNR2GRNSORT1KDM4EMAPK14
SCHEMBL352451 0.69 CNR2 (0.66) CNR2GRNSORT1KDM4ENPC1
SCHEMBL1465565 0.67 ALDH1A1 (0.48) CNR2ALDH1A1PHGDH
SCHEMBL1464788 0.66 KAT6A (0.45) MAPTPHGDH

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 CNR2 1/4885GRN 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.