SCHEMBL6409984

SCHEMBL6409984

Cc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)CC(C(=O)O)=NO2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CNR2 P34972 3/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6411317 0.86 TP53 (0.41) SMN1; SMN2RAB9ATP53NPC1MAPT
SCHEMBL2402246 0.85 TP53 (0.41) SMN1; SMN2RAB9ATP53NPC1MAPT
SCHEMBL6411638 0.84 L3MBTL1 (0.57) SMN1; SMN2RAB9AMAPTHTTNPSR1
SCHEMBL2404658 0.84 POLB (0.41) SMN1; SMN2RAB9ATP53NPC1MAPT
SCHEMBL6409630 0.83 ALDH1A1 (0.48) SMN1; SMN2MAPK1HTTKDM4EALDH1A1
SCHEMBL2585376 0.81 ALDH1A1 (0.56) SMN1; SMN2TP53MAPK1KDM4EALDH1A1
SCHEMBL6416697 0.79 CYP2C19 (0.52) SMN1; SMN2MAPK1HTTKDM4EALDH1A1
SCHEMBL6410502 0.77 MEN1 (0.52) SMN1; SMN2TP53MAPTMAPK1HTT
SCHEMBL6414941 0.77 TP53 (0.38) SMN1; SMN2RAB9ATP53NPC1MAPT
SCHEMBL11888841 0.77 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ATP53NPC1MAPT

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-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
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
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 (1 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 SMN1; SMN2 1584/4885RAB9A 2779/4885TP53 3890/4885

“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.