SCHEMBL1621098

SCHEMBL1621098

CC(C)(C(=O)Nc1nc(-c2cccnc2)cs1)S(=O)(=O)CC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.51
CTPS1 P17812 2/20 0.49
CTPS2 Q9NRF8 1/20 0.49
GCK P35557 1/20 0.48
ALDH1A1 P00352 5/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 4/20 0.47
RECQL P46063 1/20 0.47
ESR2 Q92731 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.46
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC3 O15379 1/20 0.44

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
SCHEMBL4011038 0.94 LMNA (0.46) HTTLMNACTPS1CTPS2GCK
SCHEMBL1621081 0.91 GCK (0.57) HTTLMNAGCKALDH1A1PKM
SCHEMBL1619362 0.91 GCK (0.49) LMNAGCKALDH1A1KMT2AMEN1
SCHEMBL4016982 0.85 RAB9A (0.48) HTTLMNAGCKALDH1A1POLB
SCHEMBL1621441 0.85 GCK (0.58) LMNAGCKALDH1A1POLBKMT2A
SCHEMBL1619354 0.85 KMT2A (0.52) HTTLMNAGCKALDH1A1POLB
SCHEMBL1619501 0.85 RAB9A (0.53) HTTLMNAALDH1A1POLBKMT2A
SCHEMBL4011458 0.84 GCK (0.51) HTTLMNAGCKALDH1A1PKM
SCHEMBL10217207 0.84 GCK (0.59) HTTLMNAGCKALDH1A1KMT2A
SCHEMBL4162523 0.83 GCK (0.50) HTTLMNAGCKALDH1A1PKM

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 19 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 claimed
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP claimed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US claimed
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP 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
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO 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
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
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 HTT 3481/4885LMNA 3872/4885CTPS1 427/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HTT 4308/4885LMNA 4483/4885CTPS1 809/4885

“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.