SCHEMBL6510024

SCHEMBL6510024

COc1ccc(S(=O)(=O)N(C)C(C(=O)O)C(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.68
MMP9 P14780 12/20 0.54
MMP2 P08253 9/20 0.54
MMP13 P45452 9/20 0.54
MMP8 P22894 8/20 0.54
KEAP1 Q14145 3/20 0.52
NFE2L2 Q16236 2/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MMP1 P03956 3/20 0.49
ADAM17 P78536 1/20 0.49
BMP1 P13497 2/20 0.49
MMP3 P08254 2/20 0.49
MMP7 P09237 1/20 0.49
MMP12 P39900 2/20 0.48
MMP14 P50281 1/20 0.48
MMP16 P51512 1/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL7386007 0.87 ADAMTS4 (0.51) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL6502002 0.85 MMP13 (0.67) MMP9MMP2MMP13MMP8CA1
SCHEMBL27583638 0.83 ADAMTS4 (0.73) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL6501557 0.83 ADAMTS4 (0.73) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL8434114 0.83 KEAP1 (0.52) KEAP1NFE2L2BMP1USP2ALDH1A1
SCHEMBL6498314 0.82 ADAMTS4 (0.47) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL6500456 0.82 ADAMTS4 (0.71) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL7534926 0.81 MMP13 (0.64) MMP9MMP2MMP13MMP8CA1
SCHEMBL7534921 0.81 MMP13 (0.64) MMP9MMP2MMP13MMP8CA1
SCHEMBL7443126 0.80 MMP2 (0.58) MMP9MMP2MMP13MMP8KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 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
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
US-6225311-B1 Acetylenic α-amino acid-based sulfonamide hydroxamic acid tace inhibitors AMERICAN CYANAMID COMPANY 2001-05-01 US 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 (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 ADAMTS4 186/4885MMP9 137/4885MMP2 225/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAMTS4 186/4885MMP9 137/4885MMP2 225/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAMTS4 186/4885MMP9 137/4885MMP2 225/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 ADAMTS4 158/4885MMP9 161/4885MMP2 235/4885

“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.