SCHEMBL6791077

SCHEMBL6791077

CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)(C(=O)NO)CC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.68
MMP13 P45452 16/20 0.68
MMP2 P08253 13/20 0.68
MMP14 P50281 11/20 0.68
MMP1 P03956 6/20 0.53
MMP9 P14780 5/20 0.53
MMP3 P08254 1/20 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
SCHEMBL6788797 0.85 MMP13 (0.71) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6791098 0.79 ADAM17 (0.61) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL3946150 0.77 ADAM17 (1.00) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL7681841 0.76 MMP13 (0.59) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL20137565 0.72 TSHR (0.49) ADAM17MMP13MMP2MMP14
SCHEMBL6784917 0.72 MMP13 (0.54) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6264848 0.70 ADAM17 (0.78) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL7868817 0.70 PRMT1 (0.53)
SCHEMBL2344497 0.69 MMP13 (0.51) ADAM17MMP13MMP2MMP14
SCHEMBL11889653 0.69 NPC1 (0.64)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097487-A1 Aromatic sulfonyl alpha-cycloamino hydroxamic acid compounds G.D. SEARLE & CO. 2004-05-20 US disclosed
US-6638952-B1 Matrix metalloprotease inhibitors PHARMACIA CORPORATION 2003-10-28 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-20040097487-A1 Aromatic sulfonyl alpha-cycloamino hydroxamic acid compounds MMP1, MMP2, MMP10 ADAM17 24/4885MMP13 10/4885MMP2 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.