SCHEMBL1788099

SCHEMBL1788099

CC(C)(C)c1cc(NC(=O)C(C)(CCO)S(=O)(=O)c2ccc(Cl)cc2)no1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.72
CNR1 P21554 7/20 0.72
HTT P42858 4/20 0.48
MAPT P10636 3/20 0.48
ATM Q13315 1/20 0.48
GAA P10253 1/20 0.47
EGFR P00533 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL469406 0.84 CNR2 (1.00) CNR2CNR1HTTMAPTATM
SCHEMBL1787576 0.83 MAPK14 (0.56) CNR2CNR1ALDH1A1
SCHEMBL3962734 0.81 CNR2 (0.91) CNR2CNR1HTTMAPTATM
SCHEMBL2257354 0.78 CNR2 (0.69) CNR2CNR1HTTMAPTATM
SCHEMBL1621011 0.77 CNR2 (0.70) CNR2CNR1HTTMAPTATM
SCHEMBL2257357 0.76 CNR2 (0.69) CNR2CNR1HTTMAPTATM
SCHEMBL4570743 0.76 CNR2 (0.59) CNR2CNR1HTTMAPTATM
SCHEMBL1464383 0.75 CNR2 (0.78) CNR2CNR1HTTMAPTATM
SCHEMBL15121174 0.75 CNR2 (0.63) CNR2CNR1HTTMAPTATM
SCHEMBL1464041 0.74 CNR2 (0.77) CNR2CNR1HTTMAPTATM

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 11 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
EP-2326629-A1 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-06-01 EP 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
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 2/4885HTT 4174/4885

“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.