SCHEMBL4026606

SCHEMBL4026606

CCCCCC#CCOc1ccc(S(=O)(=O)C2(C(=O)ON)CCN(Cc3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.82
MMP13 P45452 15/20 0.64
MMP1 P03956 14/20 0.64
MMP9 P14780 14/20 0.64

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
SCHEMBL6263654 0.92 ADAM17 (0.82) ADAM17MMP13MMP1MMP9
Hydroxyamine SCHEMBL4026602 0.91 ADAM17 (0.83) ADAM17MMP13MMP1MMP9
SCHEMBL6261771 0.91 ADAM17 (0.86) ADAM17MMP13MMP1MMP9
SCHEMBL6702006 0.91 ADAM17 (0.81) ADAM17MMP13MMP1MMP9
SCHEMBL6262973 0.90 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6704851 0.85 ADAM17 (0.80) ADAM17MMP13MMP1MMP9
SCHEMBL4033569 0.84 ADAM17 (0.82) ADAM17MMP13MMP1MMP9
SCHEMBL6268614 0.83 ADAM17 (0.78) ADAM17MMP13MMP1MMP9
SCHEMBL6262928 0.82 ADAM17 (0.81) ADAM17MMP13MMP1MMP9
SCHEMBL4033702 0.82 ADAM17 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488754-B2 Method for the treatment of polycystic kidney disease WYETH (US) 2009-02-10 US disclosed
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors WYETH 2004-11-18 US disclosed
US-20040063672-A1 Method for the treatment of polycystic kidney disease WYETH HOLDINGS CORPORATION 2004-04-01 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 (2 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-20040063672-A1 Method for the treatment of polycystic kidney disease PKD1, PKD2, PCSK6 ADAM17 9/4885MMP13 246/4885MMP1 215/4885
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.