SCHEMBL6501736

SCHEMBL6501736

CC#CCON(CC(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
KEAP1 Q14145 6/20 0.43
NFE2L2 Q16236 5/20 0.43
ADAM17 P78536 6/20 0.43
MMP9 P14780 6/20 0.43
MMP13 P45452 6/20 0.43
MMP1 P03956 5/20 0.43
MMP2 P08253 4/20 0.43
MMP8 P22894 3/20 0.43
MMP7 P09237 2/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MMP3 P08254 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL6502068 0.76 ADAM17 (0.45) KEAP1NFE2L2ADAM17MMP9MMP13
SCHEMBL7397498 0.75 ADAM17 (0.44) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL995165 0.73 ADAM17 (0.36) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL995892 0.72 ADAM17 (0.36) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3940759 0.72 MMP13 (0.46) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6500719 0.71 MMP9 (0.47) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3940974 0.70 ADAM17 (0.52) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3948064 0.70 MMP9 (0.59) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6508472 0.70 ADAM17 (0.76) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6531477 0.70 ADAM17 (0.37) KEAP1NFE2L2ADAM17MMP9MMP13

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 MAPK1 562/4885KEAP1 2904/4885NFE2L2 1953/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MAPK1 562/4885KEAP1 2904/4885NFE2L2 1953/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MAPK1 562/4885KEAP1 2904/4885NFE2L2 1953/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 MAPK1 981/4885KEAP1 3107/4885NFE2L2 2019/4885

“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.