SCHEMBL6501553

SCHEMBL6501553

CC(C)[C@@H](NCS(=O)(=O)c1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 7/20 0.57
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MMP2 P08253 10/20 0.44
MMP13 P45452 9/20 0.44
MMP3 P08254 8/20 0.44
MMP1 P03956 7/20 0.44
MMP7 P09237 7/20 0.44
MMP9 P14780 7/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
MMP14 P50281 1/20 0.43

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
SCHEMBL6500454 0.87 MMP13 (0.58) ADAMTS4GAAMAPTMMP2MMP13
SCHEMBL6510019 0.84 MMP9 (0.60) ADAMTS4MAPTMMP2MMP13MMP3
SCHEMBL6499431 0.77 ADAM17 (0.59) MMP2MMP13MMP1MMP7MMP9
SCHEMBL8283899 0.73 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP3MMP1
SCHEMBL1655901 0.73 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP3MMP1
SCHEMBL7386004 0.71 MMP1 (0.49) ADAMTS4MAPTMMP2MMP13MMP3
SCHEMBL6501997 0.71 MMP13 (0.58) MAPTMMP2MMP13MMP3MMP1
SCHEMBL11196494 0.68 ADAMTS4 (0.51) ADAMTS4GAAMAPTMMP2MMP9
SCHEMBL11196490 0.68 ADAMTS4 (0.51) ADAMTS4GAAMAPTMMP2MMP9
SCHEMBL10685817 0.68 CA2 (0.44) ADAMTS4MAPTMMP13MMP1CA2

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 9 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
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 186/4885GAA 157/4885MAPT 2138/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAMTS4 186/4885GAA 157/4885MAPT 2138/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAMTS4 186/4885GAA 157/4885MAPT 2138/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 ADAMTS4 158/4885GAA 120/4885MAPT 1753/4885

“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.