SCHEMBL6500182

SCHEMBL6500182

CC#CCSc1ccc(S(=O)(=O)N(C)CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.67
MMP13 P45452 7/20 0.67
MMP9 P14780 6/20 0.67
MMP1 P03956 4/20 0.67
MMP2 P08253 2/20 0.44
MMP7 P09237 2/20 0.44
MMP8 P22894 2/20 0.44
NR1D1 P20393 1/20 0.37
GAA P10253 3/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6505818 0.83 MMP13 (0.76) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL3949589 0.80 MMP9 (1.00) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6507783 0.76 KMT2A (0.52) NR1D1GAAALDH1A1ALOX15MEN1
SCHEMBL6500180 0.76 MMP13 (0.46) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL19654740 0.73 MAPT (0.57) MMP13MMP9MMP1MMP2MMP8
SCHEMBL13244111 0.70 ALDH1A1 (0.42) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL7356913 0.70 ADAM17 (0.69) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6500109 0.69 ALDH1A1 (0.53) GAAALDH1A1ALOX15MEN1KMT2A
SCHEMBL6625161 0.67 MMP1 (0.32) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL17837048 0.66 MAPT (0.49) MMP13MMP9MMP1MMP2MMP8

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 ADAM17 29/4885MMP13 114/4885MMP9 137/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAM17 29/4885MMP13 114/4885MMP9 137/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAM17 29/4885MMP13 114/4885MMP9 137/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 ADAM17 30/4885MMP13 115/4885MMP9 161/4885

“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.