SCHEMBL3949565

SCHEMBL3949565

CC#CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C)cc(C)cc2C(=O)NO)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.78
MMP9 P14780 15/20 0.78
MMP1 P03956 13/20 0.78
ADAM17 P78536 12/20 0.78
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL6811198 0.92 MMP13 (0.65) MMP13MMP9MMP1ADAM17TDP1
SCHEMBL6819082 0.91 MMP13 (0.65) MMP13MMP9MMP1ADAM17TDP1
SCHEMBL7317442 0.88 MMP13 (1.00) MMP13MMP9MMP1ADAM17TDP1
SCHEMBL7316679 0.88 MMP13 (1.00) MMP13MMP9MMP1ADAM17TDP1
SCHEMBL7498295 0.87 MMP13 (0.62) MMP13MMP9MMP1ADAM17
SCHEMBL7453410 0.86 MMP13 (1.00) MMP13MMP9MMP1ADAM17TDP1
SCHEMBL7319243 0.86 MMP13 (0.93) MMP13MMP9MMP1ADAM17TDP1
SCHEMBL6129978 0.86 MMP13 (1.00) MMP13MMP9MMP1ADAM17TDP1
SCHEMBL6129964 0.86 MMP13 (1.00) MMP13MMP9MMP1ADAM17
SCHEMBL6129934 0.85 MMP13 (0.84) MMP13MMP9MMP1ADAM17TDP1

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 13 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
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 246/4885MMP9 183/4885MMP1 215/4885
US-20010056088-A1 Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors PTDSS1, SAT1, TNF MMP13 254/4885MMP9 507/4885MMP1 255/4885

“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.