SCHEMBL6864656

SCHEMBL6864656

CC#CCOc1ccc(S(=O)(=O)C2(C(=O)OCC)CCN(Cc3ccc(CCN4CCCCC4)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.61
MMP13 P45452 11/20 0.61
MMP1 P03956 9/20 0.61
MMP9 P14780 8/20 0.61
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP1A2 P05177 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MMP2 P08253 1/20 0.48
MMP14 P50281 1/20 0.48

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
SCHEMBL6263138 0.94 ADAM17 (0.65) ADAM17MMP13MMP1MMP9CYP3A4
SCHEMBL6265256 0.89 MEN1 (0.71) ADAM17MMP13MMP1MMP9CYP3A4
SCHEMBL6266879 0.88 ADAM17 (0.77) ADAM17MMP13MMP1MMP9CYP3A4
SCHEMBL6263838 0.88 ADAM17 (0.77) ADAM17MMP13MMP1MMP9CYP3A4
SCHEMBL6268249 0.88 ADAM17 (0.66) ADAM17MMP13MMP1MMP9CYP3A4
SCHEMBL6262677 0.88 ADAM17 (0.79) ADAM17MMP13MMP1MMP9CYP3A4
SCHEMBL6263497 0.87 ADAM17 (0.76) ADAM17MMP13MMP1MMP9CYP3A4
SCHEMBL6267923 0.87 ADAM17 (0.65) ADAM17MMP13MMP1MMP9CYP3A4
SCHEMBL6262910 0.85 ADAM17 (0.79) ADAM17MMP13MMP1MMP9CYP3A4
SCHEMBL6263503 0.84 ADAM17 (0.67) ADAM17MMP13MMP1MMP9CYP3A4

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-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors WYETH 2004-11-18 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-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors MMP17, MMP1, MMP9 ADAM17 12/4885MMP13 16/4885MMP1 2/4885

“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.