Sugi Predict

Sugi Predict / Compounds / SCHEMBL6586903

SCHEMBL6586903

SCHEMBL6586903

COc1cccc(-c2ccc(C3=CCN(S(=O)(=O)CC(=O)NO)CC3)cc2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 18/20 1.00
▸ MMP2 P08253 17/20 1.00
▸ MMP9 P14780 2/20 0.42
▸ ADAM10 O14672 1/20 0.42
▸ MMP1 P03956 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6586433 0.92 MMP2 (0.85) MMP3MMP2MMP9ADAM10L3MBTL1
SCHEMBL6586820 0.91 MMP2 (1.00) MMP3MMP2MMP9MMP1MMP14
SCHEMBL6587197 0.91 MMP3 (0.83) MMP3MMP2MMP9MMP1MMP14
SCHEMBL6586398 0.90 MMP3 (1.00) MMP3MMP2MMP9MMP1MMP14
SCHEMBL6586215 0.88 MMP3 (1.00) MMP3MMP2L3MBTL1
SCHEMBL6584535 0.88 MMP3 (1.00) MMP3MMP2L3MBTL1
SCHEMBL6590023 0.87 MMP2 (0.77) MMP3MMP2
SCHEMBL6584456 0.86 MMP3 (1.00) MMP3MMP2MMP9ADAM10L3MBTL1
SCHEMBL6585982 0.86 MMP3 (0.86) MMP3MMP2L3MBTL1
SCHEMBL6585987 0.85 MMP3 (0.81) MMP3MMP2L3MBTL1

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
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 — — EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 — — US disclosed