SCHEMBL1619640

SCHEMBL1619640

CCOC(=O)C(C)(C)S(=O)(=O)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
FKBP1A P62942 2/20 0.35
MAPT P10636 2/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PIN1 Q13526 1/20 0.33
MMP8 P22894 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1621536 0.98 ALDH1A1 (0.37) ALDH1A1FKBP1AMAPTCYP4F2CYP4A11
SCHEMBL766823 0.85 CNR1 (0.32) MAPTCYP4F2CYP4A11KMT2AMEN1
SCHEMBL766710 0.85 CNR2 (0.41) ALDH1A1MAPTCYP4F2CYP4A11KMT2A
SCHEMBL10171728 0.85 CNR1 (0.32) MAPTCYP4F2CYP4A11KMT2AMEN1
SCHEMBL2184475 0.85 CNR1 (0.32) MAPTCYP4F2CYP4A11KMT2AMEN1
SCHEMBL1691527 0.82 HTT (0.50) ALDH1A1MAPTATML3MBTL1KMT2A
SCHEMBL10171700 0.76 ALDH1A1 (0.36) ALDH1A1FKBP1AMAPTTHRBATM
SCHEMBL3782901 0.76 LMNA (0.44) ALDH1A1MAPTTHRBATML3MBTL1
SCHEMBL3783558 0.74 LMNA (0.46) ALDH1A1MAPTTHRBATML3MBTL1
SCHEMBL1621233 0.74 CNR2 (0.31) ALDH1A1SMN1; SMN2TSHR

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 61 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-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-2342199-B1 Sulfonyl compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INT (DE) 2014-02-26 EP 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-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-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
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 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
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

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 ALDH1A1 2404/4885FKBP1A 1090/4885MAPT 2865/4885
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 2112/4885FKBP1A 704/4885MAPT 3858/4885
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 2112/4885FKBP1A 704/4885MAPT 3858/4885

“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.