SCHEMBL7607669

SCHEMBL7607669

CC(C)(C)[C@@H](CO)NC(=O)[C@@H](CC(=O)O)n1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)c1.CCN(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.35
MMP12 P39900 1/20 0.35
MMP2 P08253 7/20 0.35
MMP3 P08254 6/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIN1 Q13526 1/20 0.33
MMP1 P03956 5/20 0.31
MMP7 P09237 4/20 0.31
MMP9 P14780 4/20 0.31
SLC22A12 Q96S37 2/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CTSA P10619 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
GRIA2 P42262 1/20 0.31

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
SCHEMBL7460825 1.00 MMP13 (0.35) MMP13MMP12MMP2MMP3KDM4E
SCHEMBL7607666 1.00 MMP13 (0.35) MMP13MMP12MMP2MMP3KDM4E
SCHEMBL7460812 1.00 MMP13 (0.35) MMP13MMP12MMP2MMP3KDM4E
SCHEMBL7454036 0.95 MMP13 (0.38) MMP13MMP12MMP2MMP3KDM4E
SCHEMBL7604817 0.95 MMP13 (0.38) MMP13MMP12MMP2MMP3KDM4E
SCHEMBL7454042 0.95 MMP13 (0.38) MMP13MMP12MMP2MMP3KDM4E
SCHEMBL7462334 0.95 MMP13 (0.38) MMP13MMP12MMP2MMP3KDM4E
SCHEMBL7608023 0.84 MMP2 (0.36) MMP13MMP12MMP2MMP3PIN1
SCHEMBL7445126 0.82 MMP12 (0.36) MMP13MMP12MMP2MMP3MMP1
SCHEMBL7445137 0.82 MMP12 (0.36) MMP13MMP12MMP2MMP3MMP1

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-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 MMP13 7/4885MMP12 27/4885MMP2 2/4885

“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.