SCHEMBL1464591

SCHEMBL1464591

CC(C)(C)c1cccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.64
CNR1 P21554 5/20 0.53
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 2/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL1464833 0.94 CNR2 (0.72) CNR2CNR1CYP3A4CYP2C19ALDH1A1
SCHEMBL12095641 0.90 CNR2 (0.53) CNR2CNR1CYP3A4CYP2C19ALDH1A1
SCHEMBL1464674 0.86 CNR2 (0.61) CNR2CNR1ALDH1A1MAPTMEN1
SCHEMBL1464505 0.82 CNR2 (0.70) CNR2CNR1CYP3A4CYP2C19ALDH1A1
SCHEMBL1463959 0.80 CNR2 (0.82) CNR2CNR1CYP3A4CYP2C19CYP2C9
SCHEMBL1465265 0.79 CNR2 (0.80) CNR2CNR1CYP3A4CYP2C19ALDH1A1
SCHEMBL12635982 0.79 CNR2 (0.47) CNR2CNR1
SCHEMBL12095567 0.79 CNR2 (0.53) CNR2CNR1CYP3A4CYP2C19ALDH1A1
SCHEMBL1464236 0.78 CNR2 (0.81) CNR2CNR1ALDH1A1KDM4ELMNA
SCHEMBL1464240 0.78 CNR2 (0.48) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP claimed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US claimed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US claimed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 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-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885CYP3A4 1181/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885CYP3A4 1178/4885

“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.