SCHEMBL6931760

SCHEMBL6931760

CC#CCOc1ccc(S(=O)(=O)NC(CCCNC(=N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.58
MMP9 P14780 15/20 0.58
MMP1 P03956 12/20 0.58
ADAM10 O14672 6/20 0.58
MMP14 P50281 5/20 0.58
MMP2 P08253 5/20 0.58
MMP13 P45452 10/20 0.56
MMP7 P09237 1/20 0.54
MMP8 P22894 1/20 0.54
ADAM8 P78325 3/20 0.51
MMP12 P39900 2/20 0.49
BMP1 P13497 3/20 0.47

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
SCHEMBL3944145 1.00 ADAM17 (0.58) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3947964 0.88 ADAM17 (0.68) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3940072 0.87 ADAM17 (0.62) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3945454 0.87 ADAM17 (0.62) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL6772890 0.86 ADAM17 (0.51) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3940046 0.86 ADAM17 (0.65) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3941011 0.85 ADAM17 (0.67) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3939526 0.85 ADAM17 (0.67) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3946223 0.84 ADAM17 (0.63) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL6859797 0.83 ADAM17 (0.62) ADAM17MMP9MMP1ADAM10MMP14

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-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 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-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAM17 29/4885MMP9 137/4885MMP1 130/4885

“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.