SCHEMBL6501557

SCHEMBL6501557

CC(C)[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.73
MMP9 P14780 8/20 0.53
MMP2 P08253 6/20 0.50
MMP13 P45452 4/20 0.50
MMP8 P22894 4/20 0.50
ESR1 P03372 4/20 0.50
MMP12 P39900 2/20 0.50
MMP14 P50281 2/20 0.48
MMP3 P08254 1/20 0.48
MMP16 P51512 1/20 0.48
AGER Q15109 1/20 0.44
MMP1 P03956 3/20 0.43
ADAM17 P78536 1/20 0.43
ESR2 Q92731 2/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27583638 1.00 ADAMTS4 (0.73) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL6500456 0.86 ADAMTS4 (0.71) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL6501034 0.83 ADAMTS4 (0.52) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL6510024 0.83 ADAMTS4 (0.68) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL7971237 0.76 ADAMTS4 (0.58) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL16004977 0.75 ADAMTS4 (0.57) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL28853116 0.75 ADAMTS4 (0.57) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL16004826 0.75 ADAMTS4 (0.57) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL6499433 0.75 ADAM17 (0.78) ADAMTS4MMP9MMP2MMP13MMP8
SCHEMBL6321475 0.73 ESR1 (0.49) ADAMTS4ESR1AGERESR2ALDH1A1

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 11 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
CN-1550496-A Acetylenic alpha-amino acid-based sulfamide hydroxamic acid TACE inhibitors ���Ͽع����޹�˾ 2004-12-01 CN 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
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
CN-1345308-A Acetylenic alpha-amino acid based sulfonamide hydroxamic acid TACE inhibitors AMERICAN CYANAMID CO (US) 2002-04-17 CN 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 ADAMTS4 186/4885MMP9 137/4885MMP2 225/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAMTS4 186/4885MMP9 137/4885MMP2 225/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAMTS4 186/4885MMP9 137/4885MMP2 225/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 ADAMTS4 158/4885MMP9 161/4885MMP2 235/4885

“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.