SCHEMBL1787389

SCHEMBL1787389

CC(C)(C)c1cc(N2CCC(C)(S(=O)(=O)c3ccc(Cl)cc3)C2=O)no1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.43
CNR1 P21554 5/20 0.43
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EEF2K O00418 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
MAPT P10636 1/20 0.33
HTR7 P34969 1/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL1785466 0.82 CNR2 (0.36) CNR2CNR1ALDH1A1EEF2KSMN1; SMN2
SCHEMBL4570738 0.82 CNR2 (0.36) CNR2CNR1ALDH1A1EEF2KSMN1; SMN2
SCHEMBL4570737 0.82 CNR2 (0.36) CNR2CNR1ALDH1A1EEF2KSMN1; SMN2
SCHEMBL11003790 0.76 HTR7 (0.39) CNR2CNR1ALDH1A1HTR7
SCHEMBL4570733 0.74 CNR2 (0.42) CNR2CNR1ALDH1A1MAPK1CYP2C8
SCHEMBL4570735 0.73 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2MAPT
SCHEMBL4570728 0.72 EEF2K (0.45) ALDH1A1CYP2C9CYP2C19EEF2KSMN1; SMN2
SCHEMBL4570736 0.68 NEK2 (0.37) ALDH1A1CYP2C9CYP2C19EEF2KSMN1; SMN2
SCHEMBL1464580 0.68 CNR2 (0.64) CNR2CNR1ALDH1A1CYP2C8CYP2C9
SCHEMBL3965100 0.67 CNR2 (0.46) CNR2CNR1ALDH1A1MAPK1CYP2C8

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-2326629-B1 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-10-02 EP disclosed
EP-2326629-B1 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-10-02 EP disclosed
US-8178568-B2 Sulfone compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-15 US disclosed
US-8178568-B2 Sulfone compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-15 US disclosed
US-8178568-B2 Sulfone compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-15 US disclosed
US-20110124696-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 US disclosed
US-20110124696-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 US disclosed
US-20110124696-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 US disclosed
WO-2010005782-A1 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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-20110124696-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885ALDH1A1 2844/4885

“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.