SCHEMBL6503539

SCHEMBL6503539

CC#CCOc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)c2ccc3nc[nH]c3c2)C(=O)NO)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.54
MMP9 P14780 13/20 0.54
ADAM10 O14672 7/20 0.54
MMP14 P50281 6/20 0.54
MMP2 P08253 6/20 0.54
ADAM8 P78325 4/20 0.54
MMP12 P39900 3/20 0.54
MMP1 P03956 11/20 0.53
MMP13 P45452 7/20 0.51
MMP7 P09237 1/20 0.49
MMP8 P22894 1/20 0.49
ADAMTS4 O75173 1/20 0.48
ADAMTS1 Q9UHI8 1/20 0.48
ADAMTS7 Q9UKP4 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
HTT P42858 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
SCHEMBL3948447 0.95 ADAM17 (0.53) ADAM17MMP9ADAM10MMP14MMP2
SCHEMBL6527659 0.93 ADAM17 (0.52) ADAM17MMP9ADAM10MMP14MMP2
SCHEMBL3938934 0.93 ADAM17 (0.52) ADAM17MMP9ADAM10MMP14MMP2
SCHEMBL7421462 0.85 ADAM17 (0.61) ADAM17MMP9ADAM10MMP14MMP2
SCHEMBL3949062 0.85 ADAM17 (0.60) ADAM17MMP9ADAM10MMP14MMP2
SCHEMBL3947078 0.85 ADAM17 (0.61) ADAM17MMP9ADAM10MMP14MMP2
SCHEMBL3940966 0.84 ADAM17 (0.59) ADAM17MMP9ADAM10MMP14MMP2
SCHEMBL3944147 0.84 ADAM17 (0.59) ADAM17MMP9ADAM10MMP14MMP2
SCHEMBL6864328 0.84 ADAM17 (0.59) ADAM17MMP9ADAM10MMP14MMP2
SCHEMBL6530081 0.84 ADAM17 (0.59) ADAM17MMP9ADAM10MMP14MMP2

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-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 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-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 ADAM17 30/4885MMP9 161/4885ADAM10 28/4885

“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.