SCHEMBL4031640

SCHEMBL4031640

CCCC(C(=O)NO)S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CA1 P00915 14/20 0.41
CA2 P00918 14/20 0.41
MMP9 P14780 3/20 0.40
MMP13 P45452 3/20 0.40
ADAM17 P78536 2/20 0.38
MMP1 P03956 1/20 0.38
CA7 P43166 5/20 0.37
CA14 Q9ULX7 5/20 0.37
CA12 O43570 2/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL9491700 0.77 CHRM1 (0.46) CA1CA2MMP9CA7CA14
SCHEMBL1287927 0.77 CHRM1 (0.41) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL6340106 0.71 CA1 (0.53) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL247697 0.70
SCHEMBL30117075 0.70
Valpropylhydroxamic Acid SCHEMBL15310210 0.69 HDAC8 (1.00) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL17976934 0.68 HDAC8 (0.41) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL28705417 0.68 MMP9 (0.55) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL28935319 0.68 MMP9 (0.55) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL28694225 0.68 MMP9 (0.55) HDAC7HDAC8HDAC6HDAC9HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488754-B2 Method for the treatment of polycystic kidney disease WYETH (US) 2009-02-10 US disclosed
US-7485667-B2 Acetylenic aryl sulfonate hydroxamic acid tace and matrix metalloproteinase inhibitors WYETH HOLDINGS CORPORATION (US) 2009-02-03 US disclosed
US-7282496-B2 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2007-10-16 US disclosed
US-20070155834-A1 Acetylenic aryl sulfonate hydroxamic acid tace and matrix metalloproteinase inhibitors WYETH HOLDINGS CORPORATION (US) 2007-07-05 US disclosed
US-7199155-B2 Acetylenic aryl sulfonate hydroxamic acid TACE and matrix metalloproteinase inhibitors WYETH HOLDINGS CORPORATION (US) 2007-04-03 US disclosed
US-6946473-B2 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2005-09-20 US disclosed
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 US disclosed
WO-2005021489-A2 ACETYLENIC ARYL SULFONATE HYDROXAMIC ACID TACE AND MATRIX METALLOPROTEINASE INHIBITORS WYETH HOLDINGS CORPORATION (US) 2005-03-10 WO 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-1149074-B1 ACETYLENIC SULFONAMIDE THIOL TACE INHIBITORS WYETH CORP (US) 2004-10-20 EP disclosed
EP-1144369-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
US-6277885-B1 INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY 2001-08-21 US disclosed
US-6225311-B1 Acetylenic α-amino acid-based sulfonamide hydroxamic acid tace inhibitors AMERICAN CYANAMID COMPANY 2001-05-01 US disclosed
US-6200996-B1 ARTHRITIS; BONE, GASTROINTESTINAL DISORDERS; CROHN*S DISEASE, MULTIPLE SCLEROSIS AMERICAN CYANAMID COMPANY 2001-03-13 US disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
WO-2000044716-A1 ACETYLENIC SULFONAMIDE THIOL TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
WO-2000044711-A1 ACETYLENIC $G(b)-SULFONAMIDO AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
WO-2000044710-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
WO-2000044740-A2 HETEROARYL ACETYLENIC SULFONAMIDE AND PHOSPHINIC ACID AMIDE 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 (2 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-20070155834-A1 Acetylenic aryl sulfonate hydroxamic acid tace and matrix metalloproteinase inhibitors TNF, SI, TNFRSF1A HDAC7 26/4885HDAC8 160/4885HDAC6 90/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 HDAC7 80/4885HDAC8 452/4885HDAC6 136/4885

“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.