SCHEMBL2402473

SCHEMBL2402473

COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(C(=O)NC2CC2c2ccccc2)=NO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TGM2 P21980 1/20 0.46
EPHX2 P34913 3/20 0.44
HSD11B1 P28845 1/20 0.44
CYP3A4 P08684 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM1A O60341 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EPHX1 P07099 1/20 0.41
CCR6 P51684 1/20 0.41
PKM P14618 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 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
SCHEMBL2580546 0.91 TGM2 (0.47) MEN1KMT2ATGM2EPHX2KDM1A
SCHEMBL6416071 0.87 MEN1 (0.44) MEN1KMT2ATGM2EPHX2HSD11B1
SCHEMBL2403325 0.81 KCNA5 (0.51) MEN1KMT2AHSD11B1PKMJAK2
SCHEMBL6410958 0.81 PKM (0.52) MEN1KMT2AHSD11B1CYP3A4USP2
SCHEMBL6411879 0.78 EPHX2 (0.43) MEN1KMT2ATGM2EPHX2KDM1A
SCHEMBL2400732 0.76 MEN1 (0.45) MEN1KMT2APKMALDH1A1POLB
SCHEMBL2402390 0.73 MAPT (0.58) MEN1KMT2AEPHX2CYP3A4USP2
SCHEMBL6410962 0.73 PKM (0.50) MEN1KMT2AHSD11B1CYP3A4USP2
SCHEMBL2401891 0.73 MEN1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL2402632 0.72 ALDH1A1 (0.62) MEN1KMT2ACYP3A4USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3636/4885TGM2 3317/4885

“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.