SCHEMBL2399113

SCHEMBL2399113

O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)C1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.52
MMP9 P14780 4/20 0.52
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PTBP1 P26599 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ITGB2 P05107 6/20 0.43
ICAM1 P05362 6/20 0.43
ITGAL P20701 6/20 0.43
KMT2A Q03164 2/20 0.42
MMP7 P09237 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.42
KCNA5 P22460 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL2401380 0.94 MMP2 (0.46) MMP2MMP9LMNAMAPTPTBP1
SCHEMBL2403234 0.85 TRPV1 (0.50) MMP2MMP9LMNASMN1; SMN2KMT2A
SCHEMBL2405020 0.82 MEN1 (0.48) SMN1; SMN2KMT2AMEN1
SCHEMBL6415555 0.76 TRPV1 (0.40) MMP2MMP9LMNAMAPTSMN1; SMN2
SCHEMBL6410522 0.76 MEN1 (0.53) SMN1; SMN2KMT2AMEN1
SCHEMBL6418389 0.75 MEN1 (0.45) LMNAMAPTHTTKMT2AMEN1
SCHEMBL2402252 0.73 LIPE (0.47) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL2399263 0.72 EPHX2 (0.60) SMN1; SMN2KMT2AMEN1
SCHEMBL2400081 0.71 ALDH1A1 (0.55) KMT2AMEN1
SCHEMBL2401326 0.71 ALDH1A1 (0.41) SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MMP2 2577/4885MMP9 2937/4885LMNA 2583/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 MMP2 3086/4885MMP9 2156/4885LMNA 1973/4885

“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.