SCHEMBL4664902

SCHEMBL4664902

CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C1=C(O)[C@H](CCc2ccccc2)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.50
PTPN1 P18031 2/20 0.49
PSMB1 P20618 11/20 0.47
PSMB9 P28065 10/20 0.47
PSMB5 P28074 10/20 0.47
PSMB8 P28062 9/20 0.47
PSMB10 P40306 7/20 0.46
REN P00797 1/20 0.46
PSMB2 P49721 6/20 0.46
HDAC8 Q9BY41 1/20 0.44
YAP1 P46937 1/20 0.44

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 1.00 BCL2 (0.50) BCL2PTPN1PSMB1PSMB9PSMB5
SCHEMBL4663324 1.00 BCL2 (0.50) BCL2PTPN1PSMB1PSMB9PSMB5
SCHEMBL4664783 0.92 CTSS (0.48)
SCHEMBL4664891 0.84 BCL2 (0.51) BCL2PTPN1PSMB1PSMB9PSMB5
SCHEMBL4666840 0.84 BCL2 (0.51) BCL2PTPN1PSMB1PSMB9PSMB5
SCHEMBL4664987 0.84 BCL2 (0.51) BCL2PTPN1PSMB1PSMB9PSMB5
SCHEMBL4664989 0.84 BCL2 (0.51) BCL2PTPN1PSMB1PSMB9PSMB5
SCHEMBL4664897 0.84 BCL2 (0.51) BCL2PTPN1PSMB1PSMB9PSMB5
SCHEMBL4664894 0.84 BCL2 (0.51) BCL2PTPN1PSMB1PSMB9PSMB5
SCHEMBL4662978 0.81 CTSK (0.41)

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 BCL2 442/4885PTPN1 2489/4885PSMB1 197/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 BCL2 442/4885PTPN1 2489/4885PSMB1 197/4885

“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.