SCHEMBL3945453

SCHEMBL3945453

CCC#CCOc1ccc(S(=O)(=O)N(C)c2c(C)cc(Br)cc2C(=O)NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 1.00
ADAM17 P78536 19/20 1.00
MMP9 P14780 18/20 1.00
MMP1 P03956 11/20 1.00

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
SCHEMBL3946181 0.93 MMP13 (1.00) MMP13ADAM17MMP9MMP1
SCHEMBL3938975 0.92 MMP13 (1.00) MMP13ADAM17MMP9MMP1
SCHEMBL3945005 0.92 MMP13 (1.00) MMP13ADAM17MMP9MMP1
SCHEMBL3948597 0.92 MMP13 (1.00) MMP13ADAM17MMP9MMP1
SCHEMBL6815599 0.91 ADAM17 (1.00) MMP13ADAM17MMP9MMP1
SCHEMBL3940180 0.91 ADAM17 (1.00) MMP13ADAM17MMP9MMP1
SCHEMBL3940409 0.91 ADAM17 (1.00) MMP13ADAM17MMP9MMP1
SCHEMBL6819058 0.90 ADAM17 (0.82) MMP13ADAM17MMP9MMP1
SCHEMBL3941353 0.88 ADAM17 (1.00) MMP13ADAM17MMP9MMP1
SCHEMBL3948038 0.88 ADAM17 (0.90) MMP13ADAM17MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144369-B1 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP claimed
US-20010056088-A1 Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors AMERICAN CYANAMID COMPANY (US) 2001-12-27 US claimed
EP-1144369-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP claimed
US-6277885-B1 INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY 2001-08-21 US claimed
WO-2000044710-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed
US-7488754-B2 Method for the treatment of polycystic kidney disease WYETH (US) 2009-02-10 US disclosed
EP-1144369-B1 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-6762178-B2 FOR USE IN TREATMENT OF DISEASE CONDITIONS MEDIATED BY TNF-ALPHA, SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE, DEGENERATIVE CARTILAGE LOSS WYETH HOLDINGS CORPORATION 2004-07-13 US disclosed
US-20040063672-A1 Method for the treatment of polycystic kidney disease WYETH HOLDINGS CORPORATION 2004-04-01 US disclosed
WO-2002083112-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION (US) 2002-10-24 WO disclosed
US-20010056088-A1 Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors AMERICAN CYANAMID COMPANY (US) 2001-12-27 US disclosed
EP-1144369-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
US-6277885-B1 INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY 2001-08-21 US disclosed
WO-2000044710-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE 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 (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-20040063672-A1 Method for the treatment of polycystic kidney disease PKD1, PKD2, PCSK6 MMP13 246/4885ADAM17 9/4885MMP9 183/4885
US-20010056088-A1 Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors PTDSS1, SAT1, TNF MMP13 254/4885ADAM17 206/4885MMP9 507/4885

“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.