SCHEMBL6586622

SCHEMBL6586622

O=C(CS(=O)(=O)N1CC=C(c2ccc(-c3ccccc3)c(F)c2)CC1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 1.00
MMP2 P08253 12/20 1.00
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
USP5 P45974 1/20 0.43

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
SCHEMBL6586123 0.88 MMP2 (0.78) MMP3MMP2CCNT1CDK9KDM4E
SCHEMBL6586215 0.88 MMP3 (1.00) MMP3MMP2KDM4EALDH1A1PKM
SCHEMBL6591126 0.87 MMP3 (1.00) MMP3MMP2KDM4EALDH1A1PKM
SCHEMBL6587433 0.87 MMP3 (1.00) MMP3MMP2KDM4EALDH1A1PKM
SCHEMBL6586571 0.87 MMP3 (0.95) MMP3MMP2KDM4EALDH1A1PKM
SCHEMBL6586371 0.85 MMP3 (0.77) MMP3MMP2KDM4E
SCHEMBL6583589 0.84 MMP3 (0.79) MMP3MMP2CCNT1CDK9KDM4E
SCHEMBL6583128 0.79 MMP2 (0.73) MMP3MMP2CCNT1CDK9
SCHEMBL6585982 0.79 MMP3 (0.86) MMP3MMP2KDM4E
SCHEMBL6589722 0.78 MMP3 (0.81) MMP3MMP2CCNT1CDK9

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