SCHEMBL1847104

SCHEMBL1847104

CC(C)C[C@@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)[C@H](O)C(=O)NO

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.75
MMP2 P08253 8/20 0.75
MMP9 P14780 8/20 0.75
MMP3 P08254 8/20 0.75
ADAM17 P78536 7/20 0.75
MMP8 P22894 4/20 0.75
MMP7 P09237 4/20 0.75
MMP13 P45452 2/20 0.75
TNF P01375 2/20 0.75
MMP20 O60882 1/20 0.75
ADAMTS4 O75173 1/20 0.75
MMP10 P09238 1/20 0.75
MMP12 P39900 1/20 0.75
MMP14 P50281 1/20 0.75
MMP15 P51511 1/20 0.75
MMP16 P51512 1/20 0.75
MMP25 Q9NPA2 1/20 0.75
MMP26 Q9NRE1 1/20 0.75
ADAMTS5 Q9UNA0 1/20 0.75
MMP24 Q9Y5R2 1/20 0.75

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
SCHEMBL13274321 1.00 MMP1 (0.75) MMP1MMP2MMP9MMP3ADAM17
SCHEMBL13253259 1.00 MMP1 (0.75) MMP1MMP2MMP9MMP3ADAM17
SCHEMBL17128737 0.87 ADAM17 (0.77) MMP1MMP2MMP9MMP3ADAM17
SCHEMBL14566818 0.86 MMP1 (0.71) MMP1MMP2MMP9MMP3ADAM17
SCHEMBL14566817 0.86 MMP1 (0.71) MMP1MMP2MMP9MMP3ADAM17
SCHEMBL8189153 0.86 MMP1 (0.71) MMP1MMP2MMP9MMP3ADAM17
SCHEMBL8188238 0.86 MMP1 (0.71) MMP1MMP2MMP9MMP3ADAM17
Marimastat SCHEMBL17799241 0.86 ADAM17 (1.00) MMP1MMP2MMP9MMP3ADAM17
Marimastat SCHEMBL20793036 0.86 ADAM17 (1.00) MMP1MMP2MMP9MMP3ADAM17
SCHEMBL19069571 0.86 ADAM17 (0.75) MMP1MMP2MMP9MMP3ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226922-A1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT (GMBH) (DE) 2010-09-09 US claimed
US-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PHARMACIA CORPORATION 2004-06-24 US claimed
EP-2041181-B1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MUENCHEN (DE) 2011-05-18 EP disclosed
US-20100226922-A1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT (GMBH) (DE) 2010-09-09 US disclosed
EP-1865001-A1 Specific protease inhibitors and their use in cancer therapy GSF-FORSCHUNGSZENTRUM FÜR UMWELT UND GESUNDHEIT, GMBH (DE) 2007-12-12 EP 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-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PTGES2, PTGS2, PTGIS MMP1 67/4885MMP2 60/4885MMP9 21/4885

“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.