SCHEMBL1621156

SCHEMBL1621156

CCCS(=O)(=O)C(C)(C)C(=O)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
RAB9A P51151 4/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 5/20 0.52
PKM P14618 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
RECQL P46063 1/20 0.51
ESR2 Q92731 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL1619487 0.89 CLK1 (0.53) KMT2AMEN1MAPTALDH1A1
SCHEMBL1621410 0.89 MAPT (0.54) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL1621153 0.83 ALDH1A1 (0.55) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL1619602 0.83 ABL1 (0.58) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL1621442 0.82 KDM4A (0.58) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL1621098 0.81 HTT (0.51) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL3658990 0.80 LMNA (0.53) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL1464917 0.80 MEN1 (0.64) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL1464561 0.77 SMN1; SMN2 (0.53) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL1621015 0.76 ATAD2 (0.49) KMT2AMEN1RAB9AMAPTKDM4E

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 9 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
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 KMT2A 1326/4885MEN1 4477/4885RAB9A 3649/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KMT2A 3720/4885MEN1 4811/4885RAB9A 2288/4885

“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.