SCHEMBL1622261

SCHEMBL1622261

CC(C)CS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.58
RORC P51449 1/20 0.48
RIOK2 Q9BVS4 1/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDH2 P48735 5/20 0.44
SORT1 Q99523 1/20 0.42
FBP1 P09467 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
NR3C2 P08235 2/20 0.41
KDR P35968 1/20 0.41
CLK2 P49760 1/20 0.41
IRAK1 P51617 1/20 0.41
NEK4 P51957 1/20 0.41
MAP4K2 Q12851 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL1621688 0.85 AR (0.56) ARRORCRIOK2ALDH1A1GAA
SCHEMBL1621037 0.82 CNR1 (0.48) GAACNR1CNR2
SCHEMBL1622259 0.82 AR (0.57) ARRORCRIOK2ALDH1A1GAA
SCHEMBL16253003 0.78 AR (0.58) ARRORCRIOK2ALDH1A1GAA
SCHEMBL1620990 0.78 CNR2 (0.52) ARRORCRIOK2ALDH1A1GAA
SCHEMBL1464403 0.77 AR (0.58) ARRORCRIOK2ALDH1A1GAA
SCHEMBL1464328 0.76 CNR2 (0.65) ARRORCCNR1CNR2
SCHEMBL1464145 0.76 AR (0.57) ARRORCALDH1A1IDH2SORT1
SCHEMBL1620920 0.76 AR (0.52) ARRORCRIOK2ALDH1A1GAA
SCHEMBL1621429 0.75 RORC (0.48) RORCCNR2CLK2MAP4K2HIPK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP claimed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US claimed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US claimed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 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 (2 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-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain CNR2, CNR1, OPRL1 AR 559/4885RORC 509/4885RIOK2 4762/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 AR 554/4885RORC 273/4885RIOK2 4859/4885

“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.