SCHEMBL6928595

SCHEMBL6928595

CCCCCCCCS(=O)(=O)C(Cc1ccc(OC(C)C2CCCCN2)cc1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 4/20 0.42
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
ITGAV P06756 1/20 0.34
CHRM2 P08172 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL6931506 0.91 ITGB3 (0.38) SLC6A2SLC6A3SLC6A4ITGB3ITGA2B
Hydroxyamine SCHEMBL7642633 0.90 ITGB3 (0.37) SLC6A2SLC6A3SLC6A4ITGB3ITGA2B
SCHEMBL6928591 0.82 ITGB3 (0.42) SLC6A4ITGB3ITGA2BITGAVCHRM2
SCHEMBL7623087 0.75 SLC6A3 (0.40) SLC6A2SLC6A3SLC6A4ITGB1ITGA4
SCHEMBL7642628 0.74 ITGB3 (0.41) SLC6A4ITGB3ITGA2BITGAVCHRM2
SCHEMBL6765316 0.74 SLC6A3 (0.51) SLC6A2SLC6A3SLC6A4
SCHEMBL6928601 0.71 MMP1 (0.56) SLC6A2SLC6A3CHRM2
SCHEMBL6932017 0.71 ITGB3 (0.43) SLC6A4ITGB3ITGA2BITGAVCHRM2
SCHEMBL5158501 0.71 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4
SCHEMBL5245408 0.68 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970046-B1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2003-12-10 EP disclosed
US-20020188120-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl, or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-12-12 US disclosed
US-6462073-B2 METALLOPROTEASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION 2002-10-08 US disclosed
US-6444704-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION 2002-09-03 US disclosed
US-6342508-B1 ENZYME INHIBITORS FOR PROTECTION OF CONNECTIVE TISSUES AMERICAN CYANAMID COMPANY 2002-01-29 US disclosed
US-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-01-17 US disclosed
US-6331563-B1 LOW MOLECULAR WEIGHT, NON-PEPTIDE INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME; TREATING ARTHRITIS, TUMOR METASTASIS, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, INSULIN RESISTANCE WYETH HOLDINGS CORPORATION 2001-12-18 US disclosed
US-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed
US-6197791-B1 ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS; ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2001-03-06 US disclosed
US-6172057-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2001-01-09 US disclosed
EP-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 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-20020188120-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl, or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 SLC6A2 4009/4885SLC6A3 3515/4885SLC6A4 3980/4885
US-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 SLC6A2 4230/4885SLC6A3 3664/4885SLC6A4 4099/4885

“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.