SCHEMBL1621037

SCHEMBL1621037

CC(C)CS(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.48
CNR2 P34972 3/20 0.48
NPY5R Q15761 1/20 0.47
RAB9A P51151 2/20 0.46
PTGS1 P23219 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 2/20 0.44
EPHX2 P34913 1/20 0.44
POLB P06746 2/20 0.44
DEGS1 O15121 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
PPARD Q03181 1/20 0.41
GCK P35557 1/20 0.41
FGFR4 P22455 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40

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
SCHEMBL1621470 0.88 CNR2 (0.49) CNR1CNR2NPY5RRAB9APTGS1
SCHEMBL12552685 0.85 CNR2 (0.45) CNR1CNR2NPY5RRAB9APTGS1
SCHEMBL1621448 0.84 CNR1 (0.49) CNR1CNR2NPY5RRAB9APTGS1
SCHEMBL1621494 0.84 RAB9A (0.52) CNR1CNR2NPY5RRAB9APTGS1
SCHEMBL1620771 0.83 CNR1 (0.51) CNR1CNR2NPY5RRAB9APTGS1
SCHEMBL1621631 0.82 CNR1 (0.47) CNR1CNR2NPY5RRAB9APTGS1
SCHEMBL1622261 0.82 AR (0.58) CNR1CNR2GAA
SCHEMBL1621630 0.82 RAB9A (0.48) CNR1CNR2NPY5RRAB9APTGS1
SCHEMBL1620979 0.82 CNR2 (0.54) CNR1CNR2NPY5RRAB9APTGS1
SCHEMBL1618845 0.81 NPY5R (0.53) CNR1CNR2NPY5RRAB9APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 CNR1 2/4885CNR2 1/4885NPY5R 34/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR1 2/4885CNR2 1/4885NPY5R 216/4885

“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.