SCHEMBL6293369

SCHEMBL6293369

CC#CCOc1ccc(S(=O)(=O)CNc2c(C(=O)O)cnc3c(OC)cccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.60
MMP1 P03956 3/20 0.60
MMP13 P45452 3/20 0.60
MMP9 P14780 2/20 0.60
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7093617 0.89 ADAM17 (0.61) ADAM17MMP1MMP13MMP9
SCHEMBL6698079 0.81 ADAM17 (0.69) ADAM17MMP1MMP13MMP9
SCHEMBL6293370 0.81 ADAM17 (0.82) ADAM17MMP1MMP13MMP9
SCHEMBL3940457 0.75 ADAM17 (1.00) ADAM17MMP1MMP13MMP9
SCHEMBL6289944 0.75 ADAM17 (0.59) ADAM17MMP1MMP13MMP9
SCHEMBL6290514 0.75 ADAM17 (0.59) ADAM17MMP1MMP13MMP9
SCHEMBL6290046 0.75 ADAM17 (0.59) ADAM17MMP1MMP13MMP9
SCHEMBL2514745 0.74 KDM4E (0.58) KDM4ESMN1; SMN2
SCHEMBL6289483 0.73 ADAM17 (0.78) ADAM17MMP1MMP13MMP9KDM4E
SCHEMBL6815389 0.72 ADAM17 (0.47) ADAM17MMP1MMP13MMP9

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
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-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 67/4885MMP1 208/4885MMP13 334/4885

“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.