SCHEMBL6811068

SCHEMBL6811068

COC(=O)c1cc(-c2ccccc2)cc(C)c1N(C)S(=O)(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.47
MMP13 P45452 16/20 0.47
ADAM17 P78536 16/20 0.47
MMP1 P03956 13/20 0.46
CYP2C9 P11712 1/20 0.41
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6814930 0.86 ADAM17 (0.61) MMP9MMP13ADAM17MMP1
SCHEMBL6814177 0.83 ADAM17 (0.48) MMP9MMP13ADAM17MMP1CYP2C9
SCHEMBL6810954 0.79 ADAM17 (0.62) MMP9MMP13ADAM17MMP1
SCHEMBL7313984 0.74 MMP13 (0.51) MMP9MMP13ADAM17MMP1CYP2C9
SCHEMBL6810778 0.72 MMP9 (0.81) MMP9MMP13ADAM17MMP1CYP2C9
SCHEMBL7317778 0.72 MMP13 (0.66) MMP9MMP13ADAM17MMP1CYP2C9
SCHEMBL27565176 0.70 MMP9 (0.46) MMP9MMP13ADAM17MMP1
SCHEMBL7311624 0.69 CYP2C9 (0.60) MMP9MMP13ADAM17MMP1CYP2C9
SCHEMBL6815391 0.69 ADAM17 (0.63) MMP9MMP13ADAM17MMP1
SCHEMBL6814784 0.69 ADAM17 (0.65) MMP9MMP13ADAM17MMP1

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 7 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 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
CN-1376144-A Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors AMERICAN CYANAMID CO (US) 2002-10-23 CN 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 (1 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-20010056088-A1 Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors PTDSS1, SAT1, TNF MMP9 507/4885MMP13 254/4885ADAM17 206/4885

“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.