SCHEMBL6289944

SCHEMBL6289944

CC#CCOc1ccc(S(=O)(=O)CNc2c(C(=O)O)cnc3c2c(C)nn3C)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.59
MMP13 P45452 9/20 0.59
MMP9 P14780 8/20 0.59
MMP1 P03956 7/20 0.59
MMP2 P08253 2/20 0.45
NR3C1 P04150 7/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MMP8 P22894 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
SCHEMBL7006613 0.85 MMP1 (0.57) ADAM17MMP13MMP9MMP1NR3C1
SCHEMBL6290579 0.84 MMP1 (0.53) ADAM17MMP13MMP9MMP1NR3C1
SCHEMBL6290046 0.82 ADAM17 (0.59) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6290514 0.82 ADAM17 (0.59) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6289947 0.80 MMP13 (0.82) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL7008676 0.76 LMNA (0.66) ADAM17MMP13MMP9MMP1NR3C1
SCHEMBL6290687 0.76 LMNA (0.56) ADAM17MMP13MMP9MMP1NR3C1
SCHEMBL7093617 0.75 ADAM17 (0.61) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6293369 0.75 ADAM17 (0.60) ADAM17MMP13MMP9MMP1
SCHEMBL6811146 0.74 ADAM17 (0.57) ADAM17MMP13MMP9MMP1MMP2

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
US-6946473-B2 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2005-09-20 US disclosed
US-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors AMERICAN CYANAMID COMPANY 2003-11-06 US disclosed
EP-1279674-A2 Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors American Cyanamid Company (US) 2003-01-29 EP disclosed
EP-1157024-B1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID CO (US) 2002-11-06 EP disclosed
EP-1157024-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-11-28 EP disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS 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-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors SI, TNF, PTDSS1 ADAM17 67/4885MMP13 334/4885MMP9 432/4885

“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.