SCHEMBL4663314

SCHEMBL4663314

CC(C)CC(=O)C1=C(O)C(CC(C)C)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.44
ACP1 P24666 5/20 0.44
CDC25B P30305 5/20 0.44
DUSP3 P51452 2/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN2 P17706 1/20 0.44
HPSE Q9Y251 1/20 0.44
FFAR1 O14842 2/20 0.34
SLC25A5 P05141 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
AKR1B10 O60218 1/20 0.32
ALOX5 P09917 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2B P29275 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
SCHEMBL4663317 1.00 PTPN1 (0.44) PTPN1ACP1CDC25BDUSP3MAPT
SCHEMBL4664770 0.84 PTPN1 (0.39) PTPN1ACP1CDC25BDUSP3MAPT
SCHEMBL4664706 0.84 PTPN1 (0.49) PTPN1ACP1CDC25BDUSP3MAPT
SCHEMBL4665112 0.83 HPGD (0.39) PTPN1ACP1CDC25BDUSP3MAPT
SCHEMBL4666751 0.82 PTPN1 (0.47) PTPN1ACP1CDC25BDUSP3MAPT
SCHEMBL4663032 0.81 PTPN1 (0.40) PTPN1ACP1CDC25BDUSP3MAPT
SCHEMBL4662983 0.79 PTPN1 (0.35) PTPN1ACP1CDC25BDUSP3MAPT
SCHEMBL4664905 0.79 PTPN1 (0.39) PTPN1ACP1CDC25BDUSP3MAPT
SCHEMBL4662939 0.78 PTPN1 (0.37) PTPN1ACP1CDC25BDUSP3MAPT
SCHEMBL4662991 0.78 DUSP3 (0.43) PTPN1ACP1CDC25BDUSP3MAPT

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

“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.