SCHEMBL7608035

SCHEMBL7608035

CNC(=O)[C@@H](N=C(OC(C)(C)C)C(CC(=O)O)c1ccc(-c2ccc(-c3ccccc3)cc2)o1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 8/20 0.36
ADAMTS4 O75173 1/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MMP2 P08253 2/20 0.32
MMP3 P08254 1/20 0.32
MMP12 P39900 2/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HDAC1 Q13547 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL7410197 0.77 MMP2 (0.50) MMP2MMP3MMP12
SCHEMBL7410195 0.77 MMP2 (0.50) MMP2MMP3MMP12
SCHEMBL7403500 0.75 MMP2 (0.43) MMP2MMP3MMP12
SCHEMBL7608028 0.75 MMP2 (0.43) MMP2MMP3MMP12
SCHEMBL7956694 0.69 PPARA (0.48) CTSSCTSK
SCHEMBL7410110 0.69 PPARA (0.48) CTSSCTSK
SCHEMBL7607171 0.69 SUCNR1 (0.34) SUCNR1
SCHEMBL7452052 0.66 MMP2 (0.35) CTSSCTSKMMP2MMP3MMP12
SCHEMBL7672670 0.66 LTA4H (0.46) MMP2MMP3ALDH1A1
SCHEMBL7611000 0.65 MMP2 (0.33) MMP2MMP3MMP12ALDH1A1

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 SUCNR1 1168/4885ADAMTS4 29/4885CTSS 54/4885

“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.