SCHEMBL7445126

SCHEMBL7445126

CC(C)(C)C(CO)NC(=O)C(CC(=O)O)n1ccc(-c2ccc(-c3ccncc3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.36
MMP13 P45452 2/20 0.36
ROCK1 Q13464 9/20 0.35
ROCK2 O75116 8/20 0.35
PRKACA P17612 5/20 0.35
GSK3A P49840 5/20 0.35
GSK3B P49841 5/20 0.35
PRKX P51817 5/20 0.35
CLK4 Q9HAZ1 5/20 0.35
RPS6KA5 O75582 4/20 0.35
MAPK1 P28482 4/20 0.35
PRKG1 Q13976 4/20 0.35
PKN2 Q16513 4/20 0.35
SGK2 Q9HBY8 4/20 0.35
MAP4K4 O95819 3/20 0.35
RPS6KB1 P23443 3/20 0.35
AKT1 P31749 3/20 0.35
PRKCD Q05655 3/20 0.35
PRKG2 Q13237 3/20 0.35
CDC42BPA Q5VT25 3/20 0.35

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
SCHEMBL7445137 1.00 MMP12 (0.36) MMP12MMP13ROCK1ROCK2PRKACA
SCHEMBL6278607 0.91 HDAC8 (0.36) ROCK1ROCK2PRKACAGSK3AGSK3B
SCHEMBL7604810 0.87 MMP2 (0.34) MMP3MMP2MMP1HDAC8
SCHEMBL7604813 0.87 MMP2 (0.34) MMP3MMP2MMP1HDAC8
SCHEMBL7454036 0.86 MMP13 (0.38) MMP12MMP13MMP3MMP9MMP2
SCHEMBL7462334 0.86 MMP13 (0.38) MMP12MMP13MMP3MMP9MMP2
SCHEMBL7454042 0.86 MMP13 (0.38) MMP12MMP13MMP3MMP9MMP2
SCHEMBL7604817 0.86 MMP13 (0.38) MMP12MMP13MMP3MMP9MMP2
SCHEMBL7454170 0.84 MMP2 (0.43) MMP3MMP2MMP1
SCHEMBL7454159 0.84 MMP2 (0.43) MMP3MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US claimed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US claimed
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 7/4885ROCK1 257/4885

“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.