SCHEMBL6808425

SCHEMBL6808425

O=C(CCCc1ncccn1)CS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1.O=S(=O)(Cc1ccc(F)cc1)C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.35
COMT P21964 1/20 0.35
MAPK14 Q16539 2/20 0.33
USP5 P45974 1/20 0.33
DRD2 P14416 2/20 0.32
EGFR P00533 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.31
FKBP1A P62942 1/20 0.31
NAMPT P43490 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL940834 0.87 MMP3 (0.44) MMP3COMTUSP5DRD2EGFR
SCHEMBL6808427 0.83 MMP3 (0.41) MMP3COMTUSP5DRD2EGFR
SCHEMBL942368 0.82 MMP3 (0.46) MMP3COMTUSP5DRD2EGFR
SCHEMBL12911467 0.75 KMT2A (0.41) KMT2ANAMPT
SCHEMBL8487694 0.69 SLC6A2 (0.41)
SCHEMBL942531 0.66 MMP13 (0.43) COMT
SCHEMBL6839896 0.66 MMP13 (0.43) COMT
SCHEMBL12911295 0.65 MMP3 (0.52) MMP3COMTUSP5DRD2NAMPT
SCHEMBL6809063 0.64 MMP3 (0.43) MMP3USP5DRD2KMT2A
SCHEMBL5957737 0.64 ADAM17 (0.35) FAAHNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 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-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MMP3 3/4885COMT 2063/4885MAPK14 1762/4885

“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.