SCHEMBL4664783

SCHEMBL4664783

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)C1=C(O)C(CCc2ccccc2)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.48
CTSK P43235 6/20 0.48
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
ACE P12821 2/20 0.47
EPHX2 P34913 1/20 0.46
AKT1 P31749 1/20 0.46
CCKAR P32238 1/20 0.44
CCKBR P32239 1/20 0.44
ATM Q13315 1/20 0.43
APP P05067 1/20 0.43
IDO1 P14902 1/20 0.43
SCN9A Q15858 1/20 0.42
KLK5 Q9Y337 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL4664900 0.92 BCL2 (0.50)
SCHEMBL4663324 0.92 BCL2 (0.50)
SCHEMBL4664902 0.92 BCL2 (0.50)
SCHEMBL4662978 0.88 CTSK (0.41) CTSSCTSKCTSBCTSLACE
SCHEMBL6505686 0.82 CTSS (0.49) CTSSCTSKCTSBCTSLACE
SCHEMBL4665043 0.82 CTSS (0.49) CTSSCTSKCTSBCTSLACE
SCHEMBL4664897 0.75 BCL2 (0.51)
SCHEMBL4664989 0.75 BCL2 (0.51)
SCHEMBL4666840 0.75 BCL2 (0.51)
SCHEMBL4664891 0.75 BCL2 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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 (2 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 CTSS 113/4885CTSK 569/4885CTSB 61/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CTSS 113/4885CTSK 569/4885CTSB 61/4885

“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.