SCHEMBL1619480

SCHEMBL1619480

CC(C)(C)c1csc(NC(=O)C(C)(C)S(C)(=O)=O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.55
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 3/20 0.53
POLB P06746 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
LMNA P02545 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51

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
SCHEMBL1621451 0.87 ATAD2 (0.53) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL1621065 0.85 NPC1 (0.53) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL12095597 0.84 GCK (0.52) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL77451 0.83 ATAD2 (0.61) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL3661395 0.82 ATAD2 (0.49) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL1464539 0.82 NPC1 (0.61) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL1621015 0.82 ATAD2 (0.49) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL1464350 0.82 NPC1 (0.52) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL1621453 0.81 ATAD2 (0.48) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL3659515 0.80 ATAD2 (0.53) ATAD2NPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP claimed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US claimed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US claimed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP disclosed
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US disclosed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US disclosed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US disclosed
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 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-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain CNR2, CNR1, OPRL1 ATAD2 3962/4885NPC1 2051/4885RAB9A 3649/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ATAD2 3539/4885NPC1 1253/4885RAB9A 2288/4885

“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.