SCHEMBL1108514

SCHEMBL1108514

CN(C[C@@H]1NC(=O)NC1=O)S(=O)(=O)c1ccc(Oc2ccccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
PTGS2 P35354 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 4/20 0.36
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
ADAMTS4 O75173 1/20 0.35
LTA4H P09960 1/20 0.35
HTT P42858 3/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL1101198 0.88 HTT (0.46) MMP2MMP9PTGS2SMN1; SMN2KDM4E
SCHEMBL1108517 0.88 HTT (0.46) MMP2MMP9PTGS2SMN1; SMN2KDM4E
SCHEMBL1100372 0.85 LIPE (0.40) MMP2MMP9PTGS2SMN1; SMN2KDM4E
SCHEMBL1108568 0.85 LIPE (0.40) MMP2MMP9PTGS2SMN1; SMN2KDM4E
SCHEMBL1101042 0.84 LMNA (0.40) MMP2MMP9PTGS2TDP1SMN1; SMN2
SCHEMBL1108565 0.84 LMNA (0.40) MMP2MMP9PTGS2TDP1SMN1; SMN2
SCHEMBL1108503 0.82 PGR (0.46) MMP2MMP9SMN1; SMN2LMNAMMP1
SCHEMBL1100371 0.82 PGR (0.44) MMP2MMP9SMN1; SMN2LMNAMMP13
SCHEMBL1099181 0.82 LMNA (0.42) MMP2MMP9SMN1; SMN2KDM4ELMNA
SCHEMBL1108549 0.82 PGR (0.44) MMP2MMP9SMN1; SMN2LMNAMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 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 (3 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-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 MMP2 9/4885MMP9 1/4885PTGS2 235/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 MMP2 9/4885MMP9 1/4885PTGS2 235/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 MMP2 8/4885MMP9 1/4885PTGS2 188/4885

“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.