SCHEMBL6504124

SCHEMBL6504124

CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.57
MMP9 P14780 3/20 0.57
MMP3 P08254 2/20 0.57
MMP7 P09237 2/20 0.57
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 2/20 0.57
MMP13 P45452 5/20 0.51
FKBP1A P62942 1/20 0.48
ADAM17 P78536 2/20 0.47
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.44
MAPT P10636 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
SCHEMBL6273396 0.86 MMP1 (0.56) MMP1MMP9MMP3MMP7ALDH1A1
SCHEMBL6504739 0.83 MMP13 (0.70) MMP1MMP9MMP3MMP7MMP13
SCHEMBL6196534 0.82 MMP1 (0.52) MMP1MMP9MMP3MMP7ALDH1A1
Hydroxyamine SCHEMBL6273391 0.82 MMP3 (0.56) MMP1MMP9MMP3MMP7MMP13
SCHEMBL6507941 0.82 ALDH1A1 (0.64) MMP1MMP9MMP3MMP7ALDH1A1
SCHEMBL5395589 0.82 GPR119 (0.42) ALDH1A1KMT2AMMP13MEN1MAPT
SCHEMBL27560678 0.82 MMP1 (0.75) MMP1MMP9MMP3MMP7MMP13
SCHEMBL14348086 0.81 MMP1 (0.56) MMP1MMP9MMP3MMP7ALDH1A1
SCHEMBL6338561 0.80 MMP1 (0.79) MMP1MMP9MMP3MMP7MMP13
SCHEMBL6801501 0.80 FKBP1A (0.66) ALDH1A1KMT2ALMNAFKBP1AMEN1

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 MMP1 130/4885MMP9 137/4885MMP3 177/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MMP1 130/4885MMP9 137/4885MMP3 177/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MMP1 130/4885MMP9 137/4885MMP3 177/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 MMP1 203/4885MMP9 161/4885MMP3 207/4885

“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.