SCHEMBL7493293

SCHEMBL7493293

CC#CCOc1ccc(S(=O)(=O)N2CCCSC(C)(C)[C@@H]2C(=O)NO)cc1

nearest known ligand 0.90

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.90
MMP13 P45452 18/20 0.90
ADAM17 P78536 15/20 0.90
MMP9 P14780 5/20 0.90
MMP2 P08253 5/20 0.90
MMP3 P08254 6/20 0.76
ADAM10 O14672 2/20 0.76
ADAM9 Q13443 2/20 0.76
MMP7 P09237 3/20 0.74
MMP8 P22894 2/20 0.73

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
SCHEMBL3942486 0.94 ADAM17 (1.00) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL2358255 0.94 ADAM17 (1.00) MMP1MMP13ADAM17MMP9MMP2
Propionamide SCHEMBL7428300 0.90 ADAM17 (0.90) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL3947099 0.89 MMP1 (0.82) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL12272905 0.87 ADAM17 (0.86) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL8051411 0.87 MMP1 (0.86) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL7325140 0.86 MMP1 (0.86) MMP1MMP13ADAM17MMP9MMP2
Apratastat SCHEMBL3946334 0.86 MMP1 (1.00) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL3941871 0.86 MMP1 (0.86) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL7325752 0.86 MMP1 (0.86) MMP1MMP13ADAM17MMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225311-B1 Acetylenic α-amino acid-based sulfonamide hydroxamic acid tace inhibitors AMERICAN CYANAMID COMPANY 2001-05-01 US disclosed