SCHEMBL12289489

SCHEMBL12289489

CC(C)(C(N)=O)S(=O)(=O)CC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.46
CNR1 P21554 3/20 0.46
PIK3CD O00329 1/20 0.32
AOC2 O75106 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL13392840 0.90 CNR2 (0.40) CNR2CNR1AOC2PSEN1PSEN2
SCHEMBL13392949 0.88 CNR2 (0.34) CNR2CNR1
SCHEMBL12289431 0.85 CNR2 (0.36) CNR2CNR1PIK3CDPSEN1PSEN2
SCHEMBL10177092 0.85 CNR2 (0.43) CNR2CNR1PIK3CDAOC2MAOA
SCHEMBL766752 0.85 CNR2 (0.47) CNR2CNR1PIK3CD
SCHEMBL10146289 0.83 CNR2 (0.41) CNR2CNR1
SCHEMBL352817 0.83 CNR2 (0.52) CNR2CNR1AOC2MAOA
SCHEMBL766875 0.78 CNR2 (0.43) CNR2CNR1
SCHEMBL12289441 0.78 PSEN1 (0.32) CNR2CNR1PSEN1PSEN2APH1B
SCHEMBL10147821 0.78 CNR2 (0.40) CNR2CNR1PIK3CD

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
US-8846936-B2 Sulfonyl compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
WO-2011109324-A1 TETRAZOLE COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-09 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-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, GPR52 CNR2 1/4885CNR1 2/4885PIK3CD 2375/4885

“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.