SCHEMBL1621153

SCHEMBL1621153

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 5/20 0.54
NPC1 O15118 4/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
RECQL P46063 1/20 0.53
ESR2 Q92731 1/20 0.53
NPY5R Q15761 1/20 0.53
RAB9A P51151 4/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 3/20 0.52
PKM P14618 3/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52

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
SCHEMBL1621409 0.89 MAPT (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1621622 0.89 ROCK1 (0.54)
SCHEMBL1464917 0.83 MEN1 (0.64) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL1621156 0.83 KMT2A (0.56) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL1621498 0.82 ABL1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1621439 0.81 ADORA3 (0.58) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL3658990 0.81 LMNA (0.53) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL1464561 0.79 SMN1; SMN2 (0.53) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL10697632 0.77 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL1621098 0.77 HTT (0.51) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1

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 13 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
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
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-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

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 ALDH1A1 2404/4885KDM4E 876/4885SMN1; SMN2 2019/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 2203/4885KDM4E 3501/4885SMN1; SMN2 4530/4885

“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.