SCHEMBL4666714

SCHEMBL4666714

CSC(C)CC1OC(=O)C(C(=O)CC2c3ccccc3C=CN2C(C)=O)=C1O

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.32
ACP1 P24666 3/20 0.32
CDC25B P30305 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 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
SCHEMBL4662936 0.92 PTPN1 (0.33) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL4663039 0.82 ALDH1A1 (0.36) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL4663214 0.77 KDM4E (0.37) MAPT
SCHEMBL4664703 0.73 HTR2A (0.37) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL4666814 0.73 PTPN1 (0.33) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL4666574 0.72 PTPN1 (0.38) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL4664941 0.70 PTPN1 (0.36) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL4664738 0.70 ATM (0.45) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL4663030 0.69 PTPN1 (0.41) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL4662950 0.69 HPGD (0.36) PTPN1ACP1CDC25BALDH1A1MAPT

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 6 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
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.