SCHEMBL7610993

SCHEMBL7610993

CNC(=O)[C@@H](NC(=O)C(CC(=O)OCc1ccccc1)N1C=CN(c2ccc(-c3ccccc3)cc2)C1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.42
MMP1 P03956 6/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP2 P08253 11/20 0.41
MMP14 P50281 1/20 0.39
MMP13 P45452 4/20 0.37
MMP12 P39900 1/20 0.37
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP2 P42575 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP8 Q14790 1/20 0.36
CASP10 Q92851 1/20 0.36
ADAM17 P78536 1/20 0.36

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
SCHEMBL7610988 1.00 MMP3 (0.42) MMP3MMP1MMP9MMP8MMP2
SCHEMBL7607586 0.89 MMP3 (0.43) MMP3MMP1MMP9MMP8MMP2
SCHEMBL7445478 0.88 MMP2 (0.46) MMP3MMP1MMP9MMP2MMP14
SCHEMBL7445489 0.88 MMP2 (0.46) MMP3MMP1MMP9MMP2MMP14
SCHEMBL7445496 0.88 MMP2 (0.46) MMP3MMP1MMP9MMP2MMP14
SCHEMBL7460871 0.87 KLK7 (0.36) MMP1MMP9
SCHEMBL7607062 0.87 KLK7 (0.36) MMP1MMP9
SCHEMBL7607201 0.86 MMP2 (0.49) MMP3MMP1MMP9MMP8MMP2
SCHEMBL7453694 0.81 SLC15A1 (0.39) MMP9
SCHEMBL7609078 0.81 ALDH1A1 (0.39) MMP9

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 MMP3 3/4885MMP1 8/4885MMP9 1/4885

“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.