SCHEMBL6408312

SCHEMBL6408312

CC(=O)OCC#CCOc1ccc(S(=O)(=O)Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.43
MMP13 P45452 15/20 0.43
MMP9 P14780 14/20 0.43
MMP1 P03956 13/20 0.43
MMP2 P08253 4/20 0.43
MMP14 P50281 2/20 0.43
MMP8 P22894 4/20 0.41
MMP7 P09237 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ADAM10 O14672 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5657188 0.87 ADAM17 (0.44) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6414957 0.85 ADAM17 (0.44) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL5661150 0.85 ADAM17 (0.43) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6409762 0.81 ADAM17 (0.46) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL5658080 0.78 ALDH1A1 (0.47)
SCHEMBL14619696 0.69 CYP2D6 (0.44) MMP13MMP1MMP2MMP14CA12
SCHEMBL2719046 0.69 PTGS2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL8044163 0.69 ADAM17 (0.47) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL11139958 0.69 TP53 (0.52) GAA
SCHEMBL487316 0.69 ALDH1A1 (0.50) GAA

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-20050272928-A1 Method for preparing hydroxamic acids WYETH (US) 2005-12-08 US claimed

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-20050272928-A1 Method for preparing hydroxamic acids H1-5, HDAC5, PGA5 ADAM17 687/4885MMP13 389/4885MMP9 469/4885

“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.