SCHEMBL2400819

SCHEMBL2400819

COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)CC(C(=O)NCC(C)C)=NO2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
CYP19A1 P11511 1/20 0.39
ITGB3 P05106 6/20 0.38
ITGB1 P05556 6/20 0.38
ITGAV P06756 6/20 0.38
ITGA2B P08514 6/20 0.38
ITGA5 P08648 6/20 0.38
CNR2 P34972 1/20 0.38
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 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
SCHEMBL2401617 0.91 ITGB3 (0.41) LMNAPOLBITGB3ITGB1ITGAV
SCHEMBL2400848 0.75 SLC6A9 (0.39) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2401042 0.72 CYP3A4 (0.42) HSD17B10TSHRALDH1A1
SCHEMBL2400331 0.71 KDM4E (0.54) LMNAPOLBALDH1A1
SCHEMBL2399175 0.70 KMT2A (0.47) LMNAITGB3ITGB1ITGAVITGA2B
SCHEMBL2399881 0.70 LMNA (0.44) LMNAPOLBITGB3ITGB1ITGAV
SCHEMBL2580957 0.70 ALDH1A1 (0.47) POLBITGB3ITGB1ITGAVITGA2B
SCHEMBL6409583 0.69 MAPK1 (0.46) ALDH1A1
SCHEMBL2400895 0.69 POLB (0.46) POLBALDH1A1
SCHEMBL8337431 0.69 CA1 (0.58) LMNAHSD17B10POLBCYP19A1TSHR

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 7 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
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

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 LMNA 2583/4885HSD17B10 732/4885POLB 3316/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 LMNA 1973/4885HSD17B10 348/4885POLB 1636/4885

“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.