SCHEMBL2402386

SCHEMBL2402386

COc1ccc(Br)cc1S(=O)(=O)N1CCC2(CC1)CC(C(=O)NC1CCCC1)=NO2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
ALPL P05186 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
EPHX2 P34913 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6411272 0.87 GAA (0.48) KMT2AALPLGAANPC1MEN1
SCHEMBL15309142 0.86 GAA (0.57) KMT2AALPLGAAMEN1ALDH1A1
SCHEMBL2399263 0.73 EPHX2 (0.60) KMT2AGAAMEN1ALDH1A1EPHX2
SCHEMBL2399296 0.70 L3MBTL1 (0.49) GAAALDH1A1LMNARAB9AMAPT
SCHEMBL2400718 0.69 DRD4 (0.48)
SCHEMBL2402512 0.69 EPHX2 (0.49) KMT2AGAAMEN1ALDH1A1LMNA
SCHEMBL5126820 0.69 FKBP1A (0.44) KMT2AALPLGAANPC1MEN1
SCHEMBL2400381 0.69 EPHX2 (0.51) NPC1LMNARAB9AMAPTEPHX2
SCHEMBL29575490 0.69 GAA (0.97) KMT2AGAAMEN1ALDH1A1LMNA
SCHEMBL5127055 0.68 FKBP1A (0.45) KMT2AALPLGAANPC1MEN1

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 8 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
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

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 KMT2A 3833/4885ALPL 4274/4885GAA 2363/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 KMT2A 3636/4885ALPL 3555/4885GAA 1186/4885

“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.