SCHEMBL6264627

SCHEMBL6264627

CC#CCOc1ccc([S+]([O-])C2(C(=O)NO)CC[N+](C=O)(C(=O)[O-])CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 19/20 0.45
▸ MMP13 P45452 16/20 0.45
▸ MMP2 P08253 13/20 0.44
▸ MMP14 P50281 6/20 0.42
▸ MMP1 P03956 5/20 0.42
▸ MMP9 P14780 5/20 0.42

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
SCHEMBL3949076 0.89 ADAM17 (0.47) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL7360808 0.77 ADAM17 (0.56) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6282783 0.75 MMP13 (0.68) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6266873 0.69 ADAM17 (0.47) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL3941487 0.68 ADAM17 (0.67) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL3939437 0.68 ADAM17 (0.54) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL7357294 0.67 ADAM17 (0.45) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6263943 0.66 ADAM17 (0.58) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6262721 0.65 ADAM17 (0.46) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL7427643 0.63 ADAM17 (0.56) ADAM17MMP13MMP2MMP14MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 — — EP claimed
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 — — EP disclosed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 — — WO disclosed
Send feedback