SCHEMBL3940130

SCHEMBL3940130

CC#CCON(c1c(C(=O)NO)cc(OC)nc1OC)S(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.58
MMP1 P03956 16/20 0.58
MMP9 P14780 15/20 0.58
ADAM17 P78536 14/20 0.58
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6559759 0.91 ADAM17 (0.47) MMP13MMP1MMP9ADAM17SMN1; SMN2
SCHEMBL6558782 0.79 ADAM17 (0.67) MMP13MMP1MMP9ADAM17
SCHEMBL6852394 0.73 MMP9 (1.00) MMP13MMP1MMP9ADAM17
SCHEMBL6559742 0.70 ADAM17 (0.53) MMP13MMP1MMP9ADAM17
SCHEMBL3940134 0.70 ADAM17 (0.61) MMP13MMP1MMP9ADAM17
SCHEMBL6559431 0.70 ADAM17 (0.54) MMP13MMP1MMP9ADAM17
SCHEMBL3940759 0.65 MMP13 (0.46) MMP13MMP1MMP9ADAM17
SCHEMBL6559410 0.64 ADAM17 (0.51) MMP13MMP1MMP9ADAM17
SCHEMBL3941469 0.64 ADAM17 (0.77) MMP13MMP1MMP9ADAM17
SCHEMBL3948905 0.64 MMP9 (0.46) MMP13MMP1MMP9ADAM17

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 12 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 claimed
US-20020188132-A1 Heteroaryl acetylenic sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors WYETH HOLDINGS CORPORATION 2002-12-12 US claimed
EP-1147102-A2 HETEROARYL ACETYLENIC SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP claimed
US-6200996-B1 ARTHRITIS; BONE, GASTROINTESTINAL DISORDERS; CROHN*S DISEASE, MULTIPLE SCLEROSIS AMERICAN CYANAMID COMPANY 2001-03-13 US claimed
WO-2000044740-A2 HETEROARYL ACETYLENIC 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
US-20040063672-A1 Method for the treatment of polycystic kidney disease WYETH HOLDINGS CORPORATION 2004-04-01 US disclosed
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 (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 246/4885MMP1 215/4885MMP9 183/4885
US-20020188132-A1 Heteroaryl acetylenic sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors TNF, SI, MMP12 MMP13 84/4885MMP1 327/4885MMP9 276/4885

“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.