SCHEMBL6833645

SCHEMBL6833645

CC#CCOc1ccc(S(=O)(=O)NC2(C(=O)OC)CCCCC2C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.46
MMP13 P45452 14/20 0.46
MMP1 P03956 8/20 0.45
MMP9 P14780 8/20 0.45
MMP2 P08253 5/20 0.45
MMP14 P50281 2/20 0.45
ADAM10 O14672 1/20 0.42
MMP7 P09237 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL6498679 0.80 ADAM17 (0.54) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6501473 0.79 ADAM17 (0.53) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6500938 0.75 ADAM17 (0.55) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6505898 0.74 ADAM17 (0.54) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL4030273 0.73 MMP13 (0.60) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3939183 0.72 MMP13 (0.61) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6500943 0.72 ADAM17 (0.54) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6505901 0.71 ADAM17 (0.56) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6506698 0.71 ADAM17 (0.53) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6755512 0.71 ADAM17 (0.49) ADAM17MMP13MMP1MMP9MMP2

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-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 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-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAM17 29/4885MMP13 114/4885MMP1 130/4885

“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.