SCHEMBL6559764

SCHEMBL6559764

CC#CCOc1ccc(S(=O)(=O)Nc2c(C(=O)OC)cc(OC)nc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.51
MMP13 P45452 14/20 0.47
MMP1 P03956 13/20 0.47
MMP9 P14780 12/20 0.47
MMP14 P50281 3/20 0.47
MMP2 P08253 3/20 0.47
MMP7 P09237 2/20 0.44
MMP8 P22894 2/20 0.44
ADAM10 O14672 1/20 0.44

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
SCHEMBL6559410 0.92 ADAM17 (0.51) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL3940134 0.90 ADAM17 (0.61) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL6559605 0.85 LMNA (0.52) ADAM17MMP13MMP1MMP9
SCHEMBL6559431 0.82 ADAM17 (0.54) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6559742 0.75 ADAM17 (0.53) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6558782 0.75 ADAM17 (0.67) ADAM17MMP13MMP1MMP9
SCHEMBL7416039 0.71 MMP1 (0.43) ADAM17MMP13MMP1MMP9
SCHEMBL6559759 0.69 ADAM17 (0.47) ADAM17MMP13MMP1MMP9
SCHEMBL6814295 0.68 ADAM17 (0.46) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL6290001 0.68 ADAM17 (0.63) ADAM17MMP13MMP1MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147102-B1 HETEROARYL ACETYLENIC SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-03-17 EP disclosed
US-20020188132-A1 Heteroaryl acetylenic sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors WYETH HOLDINGS CORPORATION 2002-12-12 US disclosed
EP-1147102-A2 HETEROARYL ACETYLENIC SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
US-6200996-B1 ARTHRITIS; BONE, GASTROINTESTINAL DISORDERS; CROHN*S DISEASE, MULTIPLE SCLEROSIS AMERICAN CYANAMID COMPANY 2001-03-13 US disclosed
WO-2000044740-A2 HETEROARYL ACETYLENIC 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-20020188132-A1 Heteroaryl acetylenic sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors TNF, SI, MMP12 ADAM17 74/4885MMP13 84/4885MMP1 327/4885

“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.