SCHEMBL6506286

SCHEMBL6506286

CC#CCOc1ccc(S(=O)(=O)N2CC[S@@+]([O-])C(C)(C)[C@@H]2C(=O)NO)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 20/20 0.70
▸ MMP1 P03956 19/20 0.70
▸ MMP13 P45452 19/20 0.70
▸ MMP9 P14780 9/20 0.70
▸ MMP2 P08253 1/20 0.70
▸ ADAM10 O14672 2/20 0.59
▸ MMP3 P08254 2/20 0.59
▸ ADAM9 Q13443 2/20 0.59

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
SCHEMBL6499220 1.00 ADAM17 (0.70) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL6267902 0.84 MMP1 (0.67) MMP1MMP13MMP9MMP2MMP3
SCHEMBL3949706 0.83 MMP13 (0.72) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL2358255 0.82 ADAM17 (1.00) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL3942486 0.82 ADAM17 (1.00) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL7314816 0.82 MMP1 (0.71) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL6863639 0.82 MMP1 (0.56) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL6336327 0.81 MMP1 (0.56) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL7493293 0.81 MMP1 (0.90) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL6339420 0.80 MMP1 (0.68) ADAM17MMP1MMP13MMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 — — US disclosed
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-6716833-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE AND DEGENERATIVE CARTILAGE LOSS. WYETH HOLDINGS CORPORATION 2004-04-06 — — US disclosed
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 — — US disclosed
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2003-11-13 — — US disclosed
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 — — 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 (4 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 130/4885MMP13 114/4885
US-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 ADAM17 1081/4885MMP1 339/4885MMP13 151/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAM17 29/4885MMP1 130/4885MMP13 114/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAM17 29/4885MMP1 130/4885MMP13 114/4885

“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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