SCHEMBL4635106

SCHEMBL4635106

CNC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.61
MMP1 P03956 9/20 0.53
MMP13 P45452 4/20 0.53
MMP2 P08253 6/20 0.52
MMP3 P08254 5/20 0.52
MMP9 P14780 4/20 0.52
MMP8 P22894 4/20 0.52
MMP7 P09237 2/20 0.51
TNF P01375 2/20 0.51
MMP20 O60882 1/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP10 P09238 1/20 0.51
MMP12 P39900 1/20 0.51
MMP14 P50281 1/20 0.51
MMP15 P51511 1/20 0.51
MMP16 P51512 1/20 0.51
MMP25 Q9NPA2 1/20 0.51
MMP26 Q9NRE1 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
MMP24 Q9Y5R2 1/20 0.51

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
SCHEMBL4635111 1.00 ADAM17 (0.61) ADAM17MMP1MMP13MMP2MMP3
SCHEMBL9714002 0.87 ADAM17 (0.57) ADAM17MMP1MMP13MMP2MMP3
SCHEMBL9713993 0.87 ADAM17 (0.57) ADAM17MMP1MMP13MMP2MMP3
SCHEMBL7372918 0.86 MMP2 (0.48) ADAM17MMP2MMP3
SCHEMBL9714100 0.83 ADAM17 (0.59) ADAM17MMP1MMP13MMP2MMP3
SCHEMBL9713913 0.83 ADAM17 (0.59) ADAM17MMP1MMP13MMP2MMP3
SCHEMBL7392184 0.81 MMP1 (0.53) ADAM17MMP1MMP13MMP2MMP3
SCHEMBL8015876 0.81 ADAM17 (0.52) ADAM17MMP1MMP13MMP2MMP3
SCHEMBL7444240 0.80 MMP1 (0.49) ADAM17MMP1MMP2MMP3MMP8
SCHEMBL8649599 0.80 MMP2 (0.54) MMP1MMP13MMP2MMP3MMP9

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 ADAM17 192/4885MMP1 3/4885MMP13 8/4885

“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.