SCHEMBL2400743

SCHEMBL2400743

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(C(=O)NC(Cc2ccccc2)Cc2ccccc2)=NO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
CYP2C19 P33261 1/20 0.46
GAA P10253 3/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
THRB P10828 1/20 0.41
CTSL P07711 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
SCHEMBL2579196 0.93 ALDH1A1 (0.45) ALDH1A1CYP2C19GAAPKMMEN1
SCHEMBL2405020 0.86 MEN1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL2580532 0.83 LMNA (0.43) ALDH1A1CYP2C19GAAPKMMEN1
SCHEMBL2404636 0.81 ATM (0.43) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL6416697 0.81 CYP2C19 (0.52) ALDH1A1CYP2C19GAAPKMMEN1
SCHEMBL2400362 0.79 GAA (0.65) ALDH1A1CYP2C19GAAPKMKMT2A
SCHEMBL2580546 0.79 TGM2 (0.47) ALDH1A1CYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL2402390 0.79 MAPT (0.58) ALDH1A1CYP2C19GAAMEN1KMT2A
SCHEMBL2401891 0.78 MEN1 (0.42) ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL2400746 0.78 CRHBP (0.52) ALDH1A1CYP2C19GAAPKMMEN1

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 ALDH1A1 412/4885CYP2C19 81/4885GAA 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 ALDH1A1 156/4885CYP2C19 77/4885GAA 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.