SCHEMBL1621558

SCHEMBL1621558

CC(C)S(=O)(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.53
▸ TAS2R14 Q9NYV8 1/20 0.45
▸ GSK3A P49840 3/20 0.43
▸ GSK3B P49841 3/20 0.43
▸ SRPK1 Q96SB4 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ PRKX P51817 1/20 0.43
▸ PRKG1 Q13976 1/20 0.43
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ CNR2 P34972 4/20 0.42
▸ GRM5 P41594 2/20 0.42
▸ CNR1 P21554 2/20 0.41
▸ ACVR1 Q04771 4/20 0.41
▸ CLK4 Q9HAZ1 4/20 0.41
▸ FLT3 P36888 3/20 0.41
▸ CSNK2A1 P68400 3/20 0.41
▸ HIPK4 Q8NE63 3/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CDK2 P24941 2/20 0.41

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
SCHEMBL1621426 0.84 RORC (0.49) RORCTAS2R14GSK3AGSK3BSRPK1
SCHEMBL1621429 0.84 RORC (0.48) RORCTAS2R14GSK3AGSK3BSRPK1
SCHEMBL1464507 0.83 TAS2R14 (0.52) RORCTAS2R14GSK3AGSK3BSRPK1
SCHEMBL1464871 0.82 CNR2 (0.55) RORCTAS2R14GSK3AGSK3BSRPK1
SCHEMBL1464304 0.82 CNR2 (0.50) RORCTAS2R14GSK3AGSK3BSRPK1
SCHEMBL1464360 0.82 CNR2 (0.50) RORCTAS2R14GSK3AGSK3BSRPK1
SCHEMBL1464240 0.81 CNR2 (0.48) RORCTAS2R14GSK3AGSK3BSRPK1
SCHEMBL1464461 0.81 CNR2 (0.49) RORCTAS2R14GSK3AGSK3BSRPK1
SCHEMBL1465098 0.81 CNR2 (0.61) RORCGSK3AGSK3BCNR2CNR1
SCHEMBL3656731 0.80 RORC (0.51) RORCTAS2R14GSK3AGSK3BSRPK1

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 16 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
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
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

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 RORC 509/4885TAS2R14 2264/4885GSK3A 3446/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 RORC 273/4885TAS2R14 1741/4885GSK3A 2084/4885

“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.

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