SCHEMBL7460537

SCHEMBL7460537

CC(C)(C)OC(=O)N[C@H](CC(=O)O)C(=N[C@H](CO)Cc1c[nH]cn1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SYK P43405 1/20 0.40
PPARA Q07869 1/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACE P12821 1/20 0.38
BCL2 P10415 1/20 0.38

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
SCHEMBL7412286 0.88 CTSS (0.50) CTSSCTSKCTSLCTSBSYK
SCHEMBL14423615 0.81 POLB (0.53) SYKPPARAMAPTPOLBMAPK1
SCHEMBL5358594 0.81 POLB (0.53) SYKPPARAMAPTPOLBMAPK1
SCHEMBL7153638 0.81 POLB (0.53) SYKPPARAMAPTPOLBMAPK1
SCHEMBL7609962 0.79 PPARA (0.47) CTSSCTSKCTSLCTSBSYK
SCHEMBL7406421 0.79 PPARA (0.48) CTSSCTSKCTSLCTSBSYK
SCHEMBL7607583 0.79 PPARA (0.47) CTSSCTSKCTSLCTSBSYK
SCHEMBL7462719 0.79 PPARA (0.47) CTSSCTSKCTSLCTSBSYK
SCHEMBL7460520 0.78 KLK7 (0.49) CTSSCTSKCTSLCTSBSYK
SCHEMBL7460511 0.78 KLK7 (0.49) CTSSCTSKCTSLCTSBSYK

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 CTSS 54/4885CTSK 64/4885CTSL 73/4885

“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.