SCHEMBL6282783

SCHEMBL6282783

CC#CCOc1ccc([S+]([O-])C2(C(=O)NO)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 19/20 0.68
▸ ADAM17 P78536 19/20 0.68
▸ MMP2 P08253 12/20 0.57
▸ MMP14 P50281 11/20 0.57
▸ MMP1 P03956 8/20 0.53
▸ MMP9 P14780 4/20 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
SCHEMBL7360808 0.89 ADAM17 (0.56) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL6263926 0.86 ADAM17 (0.71) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL3949076 0.81 ADAM17 (0.47) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL7040196 0.81 ADAM17 (1.00) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL3949307 0.80 MMP13 (0.67) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL3946150 0.79 ADAM17 (1.00) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL6507094 0.79 ADAM17 (0.75) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL6261987 0.78 ADAM17 (0.71) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL7427317 0.78 ADAM17 (0.79) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL6755198 0.76 MMP13 (0.56) MMP13ADAM17MMP2MMP14MMP1

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-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 — — EP disclosed
US-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors AMERICAN CYANAMID COMPANY 2002-07-04 — — 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-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors MMP17, MMP1, MMP9 MMP13 16/4885ADAM17 12/4885MMP2 11/4885

“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.

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