SCHEMBL352090

SCHEMBL352090

CC(C)(c1nc(C2CCCCC2)no1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC4 P56524 2/20 0.41
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL352789 0.77 CNR2 (0.46) KMT2AKDM4EMEN1TSHRHDAC4
SCHEMBL10147512 0.77 KMT2A (0.41) KMT2AKDM4EMEN1TSHRLMNA
SCHEMBL352087 0.73 POLB (0.38) KMT2AKDM4ELMNAALDH1A1POLB
SCHEMBL24752179 0.73 POLB (0.44) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL24753886 0.73 POLB (0.44) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL352122 0.73 CNR2 (0.43) HDAC4CNR1CNR2POLB
SCHEMBL8252792 0.72 POLB (0.46) KDM4EHDAC4ALDH1A1CNR2POLB
SCHEMBL351166 0.72 CNR2 (0.46) KMT2AKDM4EMEN1TSHRHDAC4
SCHEMBL352088 0.71 POLB (0.36) KDM4EHDAC4ALDH1A1POLBCASP3
SCHEMBL10146061 0.70 POLB (0.46) KMT2AKDM4EMEN1ALDH1A1CNR2

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 9 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 claimed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US claimed
EP-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP claimed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO claimed
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 KMT2A 3160/4885KDM4E 2157/4885MEN1 4875/4885

“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.