SCHEMBL2400978

SCHEMBL2400978

CC(C)CC(NC(=O)C1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
TDP1 Q9NUW8 3/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 6/20 0.38
POLB P06746 5/20 0.38
MAPT P10636 8/20 0.37
MAPK1 P28482 5/20 0.37
ALDH1A1 P00352 3/20 0.37
ATM Q13315 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
RECQL P46063 2/20 0.36

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
SCHEMBL2400030 0.83 NPSR1 (0.44) PKMKMT2AMEN1TDP1RAB9A
SCHEMBL2400775 0.82 CACNA1B (0.43) KMT2AMEN1MAPTSMN1; SMN2GPR119
SCHEMBL2401703 0.80 L3MBTL1 (0.52) PKMKMT2AMEN1RAB9APOLB
SCHEMBL2404657 0.79 ALDH1A1 (0.45) PKMKMT2AMEN1RAB9AMAPT
SCHEMBL2405235 0.77 KMT2A (0.55) PKMKMT2AMEN1RAB9APOLB
SCHEMBL2404765 0.76 ALDH1A1 (0.39) PKMKMT2AMEN1RAB9APOLB
SCHEMBL2401811 0.75 MAPT (0.50) PKMKMT2AMEN1TDP1RAB9A
SCHEMBL2399313 0.74 MLYCD (0.51) KMT2AMEN1TDP1NPSR1POLB
SCHEMBL2401372 0.72 PKM (0.41) PKMKMT2AMEN1RAB9AMAPT
SCHEMBL15309168 0.72 SMN1; SMN2 (0.45) KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US claimed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US disclosed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US disclosed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US disclosed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 PKM 1685/4885KMT2A 3833/4885MEN1 2802/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 PKM 1372/4885KMT2A 3636/4885MEN1 2995/4885

“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.