SCHEMBL351307

SCHEMBL351307

Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.49
CNR1 P21554 1/20 0.47
KDM4E B2RXH2 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
GALR3 O60755 3/20 0.41
RAB9A P51151 1/20 0.41
CACNA1H O95180 1/20 0.40
NR2F2 P24468 1/20 0.39
CCR8 P51685 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CTSL P07711 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 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
SCHEMBL766896 0.84 CNR2 (0.57) CNR2CNR1LMNA
SCHEMBL13618732 0.81 KDM4E (0.41) CNR2KDM4EGRNSORT1GALR3
SCHEMBL10147509 0.81 GALR3 (0.43) CNR2KDM4EGRNSORT1GALR3
SCHEMBL12746844 0.75 CNR2 (0.48) CNR2CNR1KDM4EGRNSORT1
SCHEMBL352506 0.74 KDM4E (0.42) CNR2CNR1KDM4EGRNSORT1
SCHEMBL1619502 0.73 CNR2 (0.58) CNR2LMNA
SCHEMBL4015146 0.73 CNR2 (0.46) CNR2CNR1LMNAALDH1A1
SCHEMBL1621077 0.72 CNR2 (0.57) CNR2LMNA
SCHEMBL1621457 0.71 CNR2 (0.85) CNR2CNR1ALDH1A1
SCHEMBL2227038 0.71 CNR2 (0.58) CNR2CNR1ALDH1A1

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 3 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
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

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 1/4885CNR1 2/4885KDM4E 2157/4885

“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.