SCHEMBL1621074

SCHEMBL1621074

CC(C)(C(=O)O)S(=O)(=O)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
EPHX2 P34913 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CNR2 P34972 1/20 0.31
FPR1 P21462 1/20 0.30
MMP1 P03956 1/20 0.30
MMP7 P09237 1/20 0.30
MMP12 P39900 1/20 0.30
ECE1 P42892 1/20 0.30
MMP13 P45452 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SIGMAR1 Q99720 2/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL1621233 0.98 CNR2 (0.31) CNR2
SCHEMBL32670590 0.89 CNR2 (0.35) CNR2
SCHEMBL14647262 0.82 CNR2 (0.33) EPHX2CNR2MMP13
SCHEMBL9627748 0.82 EPHX1 (0.31) EPHX1CES2CES1EPHX2PDK1
SCHEMBL766694 0.80 CNR2 (0.46) CNR2
SCHEMBL13392894 0.79 EPHX1 (0.34) EPHX1CNR2
SCHEMBL14664306 0.78 CNR2 (0.32) CNR2
SCHEMBL12518049 0.78 LMNA (0.32)
SCHEMBL10171735 0.77 CNR2 (0.32) CNR2FPR1
SCHEMBL766807 0.77 CNR2 (0.32) CNR2FPR1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 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
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-8383651-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-8383651-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 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 (3 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 EPHX1 747/4885CES2 1931/4885CES1 1789/4885
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EPHX1 873/4885CES2 1304/4885CES1 1176/4885
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EPHX1 873/4885CES2 1304/4885CES1 1176/4885

“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.