SCHEMBL3947996

SCHEMBL3947996

CC(=O)OCC#CCOc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.83
ADAM17 P78536 19/20 0.83
MMP13 P45452 19/20 0.83
MMP9 P14780 4/20 0.83
MMP3 P08254 3/20 0.83
ADAM10 O14672 2/20 0.83
ADAM9 Q13443 2/20 0.83
MMP2 P08253 2/20 0.82
MMP7 P09237 1/20 0.68
MMP8 P22894 1/20 0.68

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
Apratastat SCHEMBL3946334 0.91 MMP1 (1.00) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL7325140 0.91 MMP1 (0.86) MMP1ADAM17MMP13MMP9MMP3
Apratastat SCHEMBL2834310 0.91 MMP1 (1.00) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL7325752 0.91 MMP1 (0.86) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL3941871 0.91 MMP1 (0.86) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL3945461 0.91 MMP1 (0.82) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL8033898 0.90 MMP1 (0.80) MMP1ADAM17MMP13MMP9MMP3
Apratastat SCHEMBL7430863 0.90 MMP1 (0.98) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL3948013 0.90 MMP1 (0.85) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL6498529 0.90 MMP1 (1.00) MMP1ADAM17MMP13MMP9MMP3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP claimed
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 US claimed
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2003-11-13 US claimed
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP claimed
US-6225311-B1 Acetylenic α-amino acid-based sulfonamide hydroxamic acid tace inhibitors AMERICAN CYANAMID COMPANY 2001-05-01 US claimed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed
US-7488754-B2 Method for the treatment of polycystic kidney disease WYETH (US) 2009-02-10 US disclosed
US-7402414-B2 Enzymatic process for deacetylation of a phenoxy-alkynyl acetate to the corresponding alcohol WYETH (US) 2008-07-22 US disclosed
US-7402414-B2 Enzymatic process for deacetylation of a phenoxy-alkynyl acetate to the corresponding alcohol WYETH (US) 2008-07-22 US disclosed
US-7179911-B2 coupling a silyl ester of (3S)-2,2-dimethyl-tetrahydro-2H-1,4-thiazine-3-carboxylic acid with 6,4-[4-(chlorosulfonyl)phenoxy]-2-butynyl acetate, hydrolyzing the silyl ester WYETH (US) 2007-02-20 US disclosed
WO-2005123705-A1 METHOD FOR PREPARING HYDROXAMIC ACIDS WYETH (US) 2005-12-29 WO disclosed
WO-2005123933-A1 ENZYMATIC DEACETYLATION OF A PHENOXY-ALKYNYL ACETATE WYETH (US) 2005-12-29 WO disclosed
US-20050272725-A1 Enzymatic process for deacetylation of a phenoxy-alkynyl acetate to the corresponding alcohol WYETH (US) 2005-12-08 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
WO-2002083112-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION (US) 2002-10-24 WO 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 MMP1 130/4885ADAM17 29/4885MMP13 114/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MMP1 130/4885ADAM17 29/4885MMP13 114/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MMP1 130/4885ADAM17 29/4885MMP13 114/4885
US-20050272725-A1 Enzymatic process for deacetylation of a phenoxy-alkynyl acetate to the corresponding alcohol ADH1C, ADH5, ADH1A MMP1 823/4885ADAM17 1838/4885MMP13 668/4885

“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.