SCHEMBL28042875

SCHEMBL28042875

CC(O)C(NS(=O)(=O)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.74
MMP3 P08254 10/20 0.74
MMP13 P45452 10/20 0.74
MMP9 P14780 10/20 0.74
MMP1 P03956 9/20 0.74
MMP7 P09237 9/20 0.74
SLC1A3 P43003 2/20 0.68
SLC1A2 P43004 2/20 0.68
SLC1A1 P43005 2/20 0.68
ADAMTS4 O75173 4/20 0.56
MMP14 P50281 1/20 0.54

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
SCHEMBL16004878 1.00 MMP2 (0.74) MMP2MMP3MMP13MMP9MMP1
SCHEMBL6797666 0.89 MMP2 (0.91) MMP2MMP3MMP13MMP9MMP1
SCHEMBL2161562 0.89 MMP2 (0.91) MMP2MMP3MMP13MMP9MMP1
SCHEMBL3842066 0.89 MMP2 (0.91) MMP2MMP3MMP13MMP9MMP1
SCHEMBL21538657 0.86 MMP9 (0.73) MMP2MMP3MMP13MMP9MMP1
SCHEMBL6296214 0.86 MMP9 (0.73) MMP2MMP3MMP13MMP9MMP1
SCHEMBL6302637 0.86 MMP9 (0.73) MMP2MMP3MMP13MMP9MMP1
SCHEMBL7406967 0.85 MMP2 (1.00) MMP2MMP3MMP13MMP9MMP1
SCHEMBL7406959 0.85 MMP2 (1.00) MMP2MMP3MMP13MMP9MMP1
SCHEMBL12467075 0.84 MMP2 (0.56) MMP2MMP3MMP13MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143188-B Novel sulfonamide TRPA1 receptor antagonists 阿里奥制药有限公司 2017-11-28 CN disclosed
CN-105143188-A Novel sulfonamide trpa1 receptor antagonists PHARMESTE S R L IN LIQUIDATION 2015-12-09 CN disclosed