SCHEMBL6759041

SCHEMBL6759041

CC#CC(Oc1ccc(S(=O)(=O)C2(C(=O)O)CCN(Cc3ccc(Br)cc3)CC2)cc1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.55
MMP13 P45452 16/20 0.55
MMP1 P03956 15/20 0.55
MMP9 P14780 15/20 0.55

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
SCHEMBL7363605 0.92 ADAM17 (0.57) ADAM17MMP13MMP1MMP9
SCHEMBL7043867 0.91 ADAM17 (0.53) ADAM17MMP13MMP1MMP9
SCHEMBL6568472 0.79 MMP1 (0.82) ADAM17MMP13MMP1MMP9
SCHEMBL6262676 0.79 ADAM17 (0.84) ADAM17MMP13MMP1MMP9
SCHEMBL6261871 0.78 ADAM17 (0.86) ADAM17MMP13MMP1MMP9
Hydroxyamine SCHEMBL4033564 0.77 ADAM17 (0.83) ADAM17MMP13MMP1MMP9
SCHEMBL6265234 0.75 ADAM17 (0.84) ADAM17MMP13MMP1MMP9
SCHEMBL6275563 0.75 ADAM17 (0.85) ADAM17MMP13MMP1MMP9
Hydroxyamine SCHEMBL6865557 0.74 ADAM17 (0.35) ADAM17MMP13MMP1MMP9
SCHEMBL6567493 0.74 MMP1 (0.79) ADAM17MMP13MMP1MMP9

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.