SCHEMBL6814713

SCHEMBL6814713

COc1cccc(C#CCOc2ccc(S(=O)(=O)CNc3c(C)cc(Br)cc3C(=O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.52
MMP9 P14780 15/20 0.52
MMP13 P45452 15/20 0.52
MMP1 P03956 10/20 0.52
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA7 P43166 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL3949711 0.93 ADAM17 (0.57) ADAM17MMP9MMP13MMP1
SCHEMBL6815416 0.91 ADAM17 (0.53) ADAM17MMP9MMP13MMP1CA12
SCHEMBL6815491 0.91 MMP13 (0.53) ADAM17MMP9MMP13MMP1CA12
SCHEMBL6814782 0.89 ADAM17 (0.48) ADAM17MMP9MMP13MMP1CA12
SCHEMBL6816630 0.88 ADAM17 (0.50) ADAM17MMP9MMP13MMP1CA12
SCHEMBL6819136 0.88 ADAM17 (0.58) ADAM17MMP9MMP13MMP1
SCHEMBL6811146 0.86 ADAM17 (0.57) ADAM17MMP9MMP13MMP1
SCHEMBL6813866 0.85 ADAM17 (0.58) ADAM17MMP9MMP13MMP1
SCHEMBL3942775 0.84 ADAM17 (0.58) ADAM17MMP9MMP13MMP1
SCHEMBL6814717 0.84 ADAM17 (0.71) ADAM17MMP9MMP13MMP1

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 6 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
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 ADAM17 206/4885MMP9 507/4885MMP13 254/4885

“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.