SCHEMBL4635116

SCHEMBL4635116

CC(C)C[C@H](CC(=O)O)C(=O)NOC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.40
MMP1 P03956 7/20 0.36
MMP3 P08254 5/20 0.36
MMP2 P08253 3/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 1/20 0.36
EPHX2 P34913 1/20 0.34
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL23911882 0.83 CCNA2 (0.35) EPHX2CCNA2CDK2CCNA1CDK5
SCHEMBL4635104 0.82 MME (0.41) MMEMMP1MMP3MMP2MMP9
SCHEMBL4633169 0.79 MME (0.42) MMEMMP1MMP3MMP2MMP9
SCHEMBL4633172 0.79 MME (0.42) MMEMMP1MMP3MMP2MMP9
SCHEMBL19161112 0.78 HPGD (0.37) EPHX2CCNA2CDK2CCNA1CDK5
SCHEMBL7383043 0.78 MMP1 (0.34) MMP1MMP3MMP2MMP9MMP14
SCHEMBL4634590 0.76 MMP2 (0.58) MMP1MMP3MMP2MMP9MMP14
SCHEMBL7411014 0.75 CCNA2 (0.35) MMP1MMP3MMP2MMP9MMP14
SCHEMBL30940157 0.72 CCNA2 (0.38) EPHX2CCNA2CDK2CCNA1CDK5
SCHEMBL15143940 0.72 MEN1 (0.37) MMP1MMP3MMP2MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931624-A1 USE OF AN AUREOLYSIN INHIBITOR FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CHARACTERISED BY COLONISATION WITH STAPHYLOCOCCUS AUREUS Serentis Limited (GB) 2008-06-18 EP disclosed
WO-2007025999-A1 USE OF AN AUREOLYSIN INHIBITOR FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CHARACTERISED BY COLONISATION WITH STAPHYLOCOCCUS AUREUS SERENTIS LIMITED (GB) 2007-03-08 WO disclosed
US-20070049518-A1 Novel method of treatment of inflammatory skin conditions SERENTIS LIMITED (GB) 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049518-A1 Novel method of treatment of inflammatory skin conditions MMP8, CUTA, MMP1 MME 540/4885MMP1 3/4885MMP3 13/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.