SCHEMBL1464730

SCHEMBL1464730

CC(C)(C)c1cnc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCC2)s1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.47
FFAR2 O15552 5/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 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
SCHEMBL1464393 0.87 MMP2 (0.44) MAPTALDH1A1HTTFFAR2
SCHEMBL1463571 0.81 MAPT (0.52) MAPTALDH1A1HTTATMCYP3A4
SCHEMBL3969923 0.81 ALDH1A1 (0.40) MAPTALDH1A1HTTATMCYP3A4
SCHEMBL3962562 0.80 ALDH1A1 (0.39) MAPTALDH1A1HTTATMCYP3A4
SCHEMBL14309224 0.79 FFAR2 (0.44) MAPTALDH1A1HTTFFAR2LMNA
SCHEMBL1465730 0.77 CNR2 (0.56) FFAR2
SCHEMBL1463671 0.76 MAPT (0.63) MAPTALDH1A1HTTATMFFAR2
SCHEMBL1464501 0.76 MAPT (0.56) MAPTALDH1A1HTTATMLMNA
SCHEMBL12095589 0.76 GCK (0.44) MAPTFFAR2
SCHEMBL1464300 0.74 CNR2 (0.61) MAPTHTTATMCYP2C19LMNA

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
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US 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
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
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 MAPT 3663/4885ALDH1A1 2360/4885HTT 4364/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 MAPT 3628/4885ALDH1A1 2203/4885HTT 4308/4885

“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.