Sugi Predict

Sugi Predict / Compounds / SCHEMBL6586398

SCHEMBL6586398

SCHEMBL6586398

Cc1cc(C2=CCN(S(=O)(=O)CC(=O)NO)CC2)ccc1-c1cccc(OC(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 17/20 1.00
▸ MMP2 P08253 16/20 1.00
▸ CCNT1 O60563 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ EGLN1 Q9GZT9 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP14 P50281 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
SCHEMBL6590166 0.92 MMP2 (0.84) MMP3MMP2CCNT1CDK9EGLN1
SCHEMBL6586903 0.90 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6586820 0.88 MMP2 (1.00) MMP3MMP2CCNT1CDK9MMP1
SCHEMBL6586818 0.87 MMP3 (0.80) MMP3MMP2EGLN1
SCHEMBL6587197 0.86 MMP3 (0.83) MMP3MMP2CCNT1CDK9MMP1
SCHEMBL6584456 0.85 MMP3 (1.00) MMP3MMP2EGLN1MMP9
SCHEMBL6586215 0.85 MMP3 (1.00) MMP3MMP2
SCHEMBL6585982 0.83 MMP3 (0.86) MMP3MMP2EGLN1
SCHEMBL6584535 0.83 MMP3 (1.00) MMP3MMP2EGLN1
SCHEMBL6585987 0.82 MMP3 (0.81) MMP3MMP2

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