SCHEMBL7604089

SCHEMBL7604089

CC(C)(C)C(NC(=O)C(CC(=O)OCc1ccccc1)n1ccc(-c2ccc(-c3ccncc3)cc2)c1)C(=O)Nc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.49
MMP3 P08254 8/20 0.49
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
AAK1 Q2M2I8 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL7447895 1.00 MMP2 (0.49) MMP2MMP3POLBALDH1A1HPGD
SCHEMBL7604901 0.94 MMP2 (0.46) MMP2MMP3POLBROCK2
SCHEMBL7454298 0.94 MMP2 (0.46) MMP2MMP3POLBROCK2
SCHEMBL7609006 0.93 MMP3 (0.42) MMP2MMP3ALDH1A1HPGDNPSR1
SCHEMBL7609014 0.93 MMP3 (0.42) MMP2MMP3ALDH1A1HPGDNPSR1
SCHEMBL7893766 0.93 MMP2 (0.45) MMP2MMP3POLB
SCHEMBL7893769 0.93 MMP2 (0.45) MMP2MMP3POLB
SCHEMBL7457897 0.93 MMP2 (0.45) MMP2MMP3POLB
SCHEMBL7610881 0.93 MMP2 (0.45) MMP2MMP3POLB
SCHEMBL7607176 0.93 MMP3 (0.42) MMP2MMP3ALDH1A1HPGDNPSR1

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 MMP2 2/4885MMP3 3/4885POLB 2433/4885

“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.