SCHEMBL6500178

SCHEMBL6500178

CC(C)(C)OC(=O)NCCOc1ccc([C@@H](N)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.62
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA9 Q16790 5/20 0.62
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
SUCNR1 Q9BXA5 8/20 0.48
PDK2 Q15119 1/20 0.47
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR88 Q9GZN0 1/20 0.44
IDO1 P14902 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8474869 0.86 CA12 (0.60) CA12CA1CA2CA9ITGB3
SCHEMBL6754076 0.84 CA12 (0.58) CA12CA1CA2CA9ITGB3
SCHEMBL2025554 0.83 CA12 (0.60) CA12CA1CA2CA9ITGB3
SCHEMBL28577195 0.83 CA12 (0.60) CA12CA1CA2CA9ITGB3
SCHEMBL5420417 0.81 CA12 (0.71) CA12CA1CA2CA9ITGB3
SCHEMBL17675706 0.81 CA12 (0.67) CA12CA1CA2CA9PDK2
SCHEMBL18737243 0.81 CA12 (0.65) CA12CA1CA2CA9ITGB3
SCHEMBL1606333 0.80 TSHR (0.67) CA12CA1CA2CA9ITGB3
SCHEMBL21068676 0.80 CA12 (0.66) CA12CA1CA2CA9ITGB3
SCHEMBL21601467 0.80 CA12 (0.69) CA12CA1CA2CA9SUCNR1

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 9 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-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 CA12 339/4885CA1 53/4885CA2 1627/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 CA12 339/4885CA1 53/4885CA2 1627/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 CA12 339/4885CA1 53/4885CA2 1627/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 CA12 271/4885CA1 65/4885CA2 1547/4885

“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.