SCHEMBL4666578

SCHEMBL4666578

CSC(C)CC1OC(=O)C(C(C)=O)=C1O.c1cc2cc-2c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 7/20 0.34
PTPN1 P18031 6/20 0.34
ACP1 P24666 4/20 0.34
DUSP3 P51452 6/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN2 P17706 1/20 0.32
HPSE Q9Y251 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CDC25A P30304 3/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CDC25C P30307 1/20 0.30

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
SCHEMBL4663033 0.88 CDC25B (0.36) CDC25BPTPN1ACP1DUSP3MAPT
SCHEMBL4666574 0.76 PTPN1 (0.38) CDC25BPTPN1ACP1DUSP3MAPT
SCHEMBL4664926 0.75 L3MBTL1 (0.36) CDC25BPTPN1ACP1DUSP3MAPT
SCHEMBL4664818 0.75 ALDH1A1 (0.41) CDC25BPTPN1ACP1DUSP3MAPT
SCHEMBL4664755 0.74 CDC25B (0.36) CDC25BPTPN1ACP1DUSP3MAPT
SCHEMBL4664941 0.74 PTPN1 (0.36) CDC25BPTPN1ACP1DUSP3MAPT
SCHEMBL4662957 0.74 DUSP3 (0.43) CDC25BPTPN1ACP1DUSP3MAPT
SCHEMBL4663023 0.74 PTPN1 (0.35) CDC25BPTPN1ACP1DUSP3MAPT
SCHEMBL4663252 0.74 PTPN1 (0.35) CDC25BPTPN1ACP1DUSP3MAPT
SCHEMBL4662968 0.73 HPGD (0.37) CDC25BPTPN1ACP1MAPTKDM4E

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 CDC25B 3121/4885PTPN1 2489/4885ACP1 2849/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CDC25B 3121/4885PTPN1 2489/4885ACP1 2849/4885

“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.