SCHEMBL6658136

SCHEMBL6658136

CC#CCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.68
MMP13 P45452 12/20 0.67
MMP1 P03956 8/20 0.67
MMP2 P08253 5/20 0.61
MMP14 P50281 4/20 0.61
MMP9 P14780 4/20 0.61
MMP8 P22894 2/20 0.49

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
SCHEMBL6660260 0.87 ADAM17 (0.65) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6786664 0.84 ADAM17 (0.83) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6626726 0.83 ADAM17 (0.84) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL7325091 0.83 ADAM17 (0.61) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6786688 0.83 ADAM17 (0.62) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL7325802 0.82 ADAM17 (0.59) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6654489 0.81 ADAM17 (1.00) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL7365665 0.81 ADAM17 (0.82) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6264635 0.81 ADAM17 (0.82) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL3939658 0.80 ADAM17 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 ADAM17 7/4885MMP13 12/4885MMP1 17/4885

“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.