SCHEMBL7461599

SCHEMBL7461599

CNC(=O)[C@@H](CC(=O)O)n1ccc(-c2ccc(-c3ccncc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.41
MMP13 P45452 2/20 0.41
AAK1 Q2M2I8 1/20 0.39
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
HDAC8 Q9BY41 4/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BCHE P06276 1/20 0.35
ROCK2 O75116 4/20 0.34
ROCK1 Q13464 4/20 0.34
RPS6KA5 O75582 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK1 P06493 1/20 0.34
CSF1R P07333 1/20 0.34
PRKACA P17612 1/20 0.34
FLT1 P17948 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL7461595 1.00 MMP12 (0.41) MMP12MMP13AAK1MMP3MMP9
SCHEMBL7454170 0.88 MMP2 (0.43) MMP3
SCHEMBL7454159 0.88 MMP2 (0.43) MMP3
SCHEMBL7453056 0.88 MMP2 (0.43) MMP12AAK1MMP3MMP9MMP8
SCHEMBL7453064 0.88 MMP2 (0.43) MMP12AAK1MMP3MMP9MMP8
SCHEMBL7451029 0.87 MMP2 (0.43) MMP3
SCHEMBL7610068 0.87 MMP2 (0.43) MMP3
SCHEMBL7607153 0.83 POLB (0.42) AAK1MMP9HDAC8ROCK2ROCK1
SCHEMBL7457294 0.83 POLB (0.42) AAK1MMP9HDAC8ROCK2ROCK1
SCHEMBL7445126 0.82 MMP12 (0.36) MMP12MMP13AAK1MMP3MMP9

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 7 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
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 WO 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 MMP12 27/4885MMP13 7/4885AAK1 4671/4885

“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.