SCHEMBL6506842

SCHEMBL6506842

CC#CCOc1ccc(S(=O)(=O)N(C)C(C(=O)O)c2ccc(OCCCNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 0.62
MMP13 P45452 13/20 0.62
MMP1 P03956 12/20 0.62
MMP9 P14780 11/20 0.62
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
MMP2 P08253 2/20 0.45
MMP7 P09237 2/20 0.45
MMP8 P22894 2/20 0.45

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
SCHEMBL6501097 0.97 ADAM17 (0.63) ADAM17MMP13MMP1MMP9CA12
SCHEMBL6508065 0.92 ADAM17 (0.75) ADAM17MMP13MMP1MMP9CA12
SCHEMBL6506426 0.89 ADAM17 (0.77) ADAM17MMP13MMP1MMP9CA12
SCHEMBL6499950 0.89 ADAM17 (0.63) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3940997 0.82 ADAM17 (0.82) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3949946 0.81 ADAM17 (0.77) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6507226 0.81 ADAM17 (0.62) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6500488 0.81 ADAM17 (0.62) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6500911 0.81 ADAM17 (0.62) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6499844 0.80 CA12 (0.48) ADAM17MMP13MMP1MMP9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO claimed
CN-110352192-B Heterocyclic compound and harmful arthropod control agent containing same 住友化学株式会社 2023-03-24 CN disclosed
CN-104136399-B The pyrazolopyrimidine base inhibitor of ubiquitin activating enzyme 米伦纽姆医药公司 2018-08-07 CN disclosed
CN-1889940-A Treatment of personality changes due to hot flashes, impulse control disorders and systemic medical conditions LILLY CO ELI (US) 2007-01-03 CN disclosed
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-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
CN-1479728-A Peroxisome proliferator activated receptor alpha agonists 2004-03-03 CN 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 ADAM17 29/4885MMP13 114/4885MMP1 130/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAM17 29/4885MMP13 114/4885MMP1 130/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 ADAM17 29/4885MMP13 114/4885MMP1 130/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 ADAM17 30/4885MMP13 115/4885MMP1 203/4885

“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.