SCHEMBL6623948

SCHEMBL6623948

CC#CCOc1ccc(S(=O)(=O)NC(C(=O)O)c2ccc(OCCNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.62
MMP1 P03956 11/20 0.62
MMP9 P14780 10/20 0.62
MMP13 P45452 9/20 0.62
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
ADAM10 O14672 2/20 0.48
MMP14 P50281 2/20 0.48
MMP2 P08253 1/20 0.48
MMP7 P09237 1/20 0.47
MMP8 P22894 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
SCHEMBL6501298 1.00 ADAM17 (0.62) ADAM17MMP1MMP9MMP13CA12
SCHEMBL6507348 0.91 ADAM17 (0.76) ADAM17MMP1MMP9MMP13CA12
SCHEMBL6507146 0.88 ADAM17 (0.67) ADAM17MMP1MMP9MMP13ADAM10
SCHEMBL6625920 0.88 ADAM17 (0.67) ADAM17MMP1MMP9MMP13ADAM10
SCHEMBL6501097 0.82 ADAM17 (0.63) ADAM17MMP1MMP9MMP13CA12
SCHEMBL6508210 0.82 ADAM17 (0.56) ADAM17MMP1MMP9MMP13CA12
SCHEMBL6501420 0.82 ADAM17 (0.56) ADAM17MMP1MMP9MMP13CA12
SCHEMBL6497501 0.82 ADAM17 (0.63) ADAM17MMP1MMP9MMP13ADAM10
SCHEMBL6501698 0.81 CA12 (0.55) ADAM17MMP1MMP9MMP13CA12
SCHEMBL3940921 0.81 ADAM17 (0.82) ADAM17MMP1MMP9MMP13ADAM10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812227-B2 SULFUR COMPOUNDS SUCH AS 2-((4-BUT-2-YNYLOXY-BENZENESULFONYL)-METHYL-AMINO)-N-HYDROXY-3-METHYL -BUTYRAMIDE, USED AS TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) INHIBITORS, FOR PROPHYLAXIS OF RHEUMATIC DISEASES, SEPSIS OR INFLAMMATION WYETH HOLDINGS CORPORATION 2004-11-02 US disclosed
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 US disclosed
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 US disclosed
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO 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 (2 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-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAM17 29/4885MMP1 130/4885MMP9 137/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAM17 29/4885MMP1 130/4885MMP9 137/4885

“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.