SCHEMBL13558102

SCHEMBL13558102

CCN(CC(Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.47
MMP2 P08253 5/20 0.47
MMP9 P14780 5/20 0.47
MMP8 P22894 5/20 0.47
MMP13 P45452 5/20 0.47
CA9 Q16790 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
GAA P10253 1/20 0.42
NR3C1 P04150 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
SCHEMBL9906199 0.89 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL9906204 0.88 MEN1 (0.52) MMP1MMP2MMP9MMP8MMP13
SCHEMBL14421867 0.80 MEN1 (0.56) CA2CA7MEN1KMT2AALDH1A1
SCHEMBL10384808 0.77 BMP1 (0.49) CA2MEN1KMT2AALDH1A1HTT
SCHEMBL10385433 0.77 BMP1 (0.49) CA2MEN1KMT2AALDH1A1HTT
SCHEMBL13558118 0.74 MEN1 (0.50) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7650160 0.74 HTT (0.66) CA9CA2CA7MEN1KMT2A
SCHEMBL8141494 0.73 TDP1 (0.72) MMP1MMP2MMP9MMP13CA2
SCHEMBL8141491 0.73 TDP1 (0.72) MMP1MMP2MMP9MMP13CA2
SCHEMBL7543999 0.72 HTT (0.51) CA9CA2CA7MEN1KMT2A

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-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 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-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 MMP1 1262/4885MMP2 2160/4885MMP9 3423/4885

“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.