SCHEMBL4663050

SCHEMBL4663050

CC(N)C(=O)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
DUSP3 P51452 1/20 0.38
TSHR P16473 1/20 0.37
GRIN2B Q13224 1/20 0.36
FASN P49327 1/20 0.36
ELANE P08246 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.34
NAAA Q02083 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
IL1RN P18510 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34

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
SCHEMBL4663054 1.00 ALDH1A1 (0.39) ALDH1A1CDC25ACDC25BDUSP3TSHR
SCHEMBL4663052 1.00 ALDH1A1 (0.39) ALDH1A1CDC25ACDC25BDUSP3TSHR
SCHEMBL4664864 0.88 TSHR (0.38) ALDH1A1CDC25ACDC25BDUSP3TSHR
SCHEMBL4664874 0.86 ALDH1A1 (0.39) ALDH1A1CDC25ACDC25BDUSP3TSHR
SCHEMBL4664865 0.86 ALDH1A1 (0.39) ALDH1A1CDC25ACDC25BDUSP3TSHR
SCHEMBL4664838 0.86 SLC7A5 (0.44) ALDH1A1CDC25ACDC25BDUSP3FASN
SCHEMBL4664844 0.86 SLC7A5 (0.44) ALDH1A1CDC25ACDC25BDUSP3FASN
SCHEMBL4663310 0.82 CDC25B (0.39) ALDH1A1CDC25ACDC25BDUSP3GRIN2B
SCHEMBL4663045 0.82 CDC25B (0.43) ALDH1A1CDC25ACDC25BDUSP3TSHR
SCHEMBL4663046 0.82 CDC25B (0.43) ALDH1A1CDC25ACDC25BDUSP3TSHR

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 ALDH1A1 2826/4885CDC25A 2484/4885CDC25B 3121/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885CDC25A 2484/4885CDC25B 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.