SCHEMBL2400732

SCHEMBL2400732

COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(C(=O)NCCc2ccccc2F)=NO3)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.44
PKM P14618 3/20 0.43
PKLR P30613 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 3/20 0.42
GAA P10253 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
NAMPT P43490 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
SCHEMBL6413457 0.87 MEN1 (0.44) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL2402458 0.83 PKM (0.53) MEN1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL2401315 0.83 NAMPT (0.52) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL6410958 0.78 PKM (0.52) MEN1KMT2AALDH1A1HTTPKM
SCHEMBL2401326 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL2400977 0.78 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HTTPKM
SCHEMBL2580957 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL2402473 0.76 MEN1 (0.47) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL2400081 0.76 ALDH1A1 (0.55) MEN1KMT2AALDH1A1PKMPOLB
SCHEMBL2399340 0.75 TRPV1 (0.54) MEN1KMT2AALDH1A1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 MEN1 2995/4885KMT2A 3636/4885CHRNB2 3153/4885

“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.