SCHEMBL1464641

SCHEMBL1464641

CC(C)(C)c1cccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.62
P2RX1 P51575 1/20 0.52
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
CNR1 P21554 4/20 0.45
IDH1 O75874 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.42
GRIK1 P39086 1/20 0.42
KMT2A Q03164 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
SCHEMBL1464367 0.92 CNR2 (0.74) CNR2P2RX1CYP3A4CYP2C9CYP2C19
SCHEMBL1465504 0.87 CNR2 (0.58) CNR2CNR1IDH1MEN1KMT2A
SCHEMBL1463959 0.83 CNR2 (0.82) CNR2P2RX1KCNJ6KCNJ5KCNJ3
SCHEMBL1464988 0.81 CNR2 (0.70) CNR2P2RX1CYP3A4CYP2C9CYP2C19
SCHEMBL12635970 0.78 CNR2 (0.47) CNR2CNR1
SCHEMBL1464492 0.77 CNR2 (1.00) CNR2P2RX1CYP3A4CYP2C9CYP2C19
SCHEMBL1464777 0.76 MEN1 (0.49) CNR2CNR1HDAC8HDAC6MEN1
SCHEMBL1464633 0.76 CNR2 (0.79) CNR2CYP3A4CNR1MEN1KMT2A
SCHEMBL1464464 0.75 CNR2 (0.48) CNR2CNR1
SCHEMBL1464368 0.74 CNR2 (0.76) CNR2CNR1IDH1MEN1KMT2A

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 13 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-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
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 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 (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 1/4885P2RX1 66/4885KCNJ6 450/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885P2RX1 75/4885KCNJ6 461/4885

“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.