SCHEMBL2400865

SCHEMBL2400865

CCCS(=O)(=O)N1CCC2(CC1)CC(C(=O)O)=NO2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SLC6A9 P48067 7/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL2400848 0.82 SLC6A9 (0.39) SLC6A9
SCHEMBL6409697 0.79 TSHR (0.48) GAAPKMKDM4EMAPTALDH1A1
SCHEMBL25159789 0.76 GPR119 (0.37)
SCHEMBL6416697 0.74 CYP2C19 (0.52) GAAPKMKDM4EALDH1A1SMN1; SMN2
SCHEMBL2402380 0.74 GPR119 (0.40) GAAKDM4EALDH1A1GLATSHR
SCHEMBL2401291 0.73 L3MBTL1 (0.47) MAPTALDH1A1LMNATDP1POLB
SCHEMBL22057286 0.72 GPR119 (0.35)
SCHEMBL6410446 0.72 SLC6A9 (0.35) SLC6A9MAPTALDH1A1LMNAPOLB
SCHEMBL6410300 0.72 SMN1; SMN2 (0.62) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL4066527 0.71 HDAC3 (0.34)

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 4 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 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 GAA 2363/4885PKM 1685/4885KDM4E 67/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 GAA 1186/4885PKM 1372/4885KDM4E 356/4885

“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.