SCHEMBL4664864

SCHEMBL4664864

CC(C)C[C@@H](C)C(=O)C1=C(O)[C@H](CCc2ccccc2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FASN P49327 1/20 0.37
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
DUSP3 P51452 1/20 0.36
NAAA Q02083 3/20 0.35
GRIN2B Q13224 1/20 0.35
ANPEP P15144 1/20 0.34
MMP8 P22894 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33

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 0.88 ALDH1A1 (0.39) TSHRALDH1A1FASNCDC25ACDC25B
SCHEMBL4663050 0.88 ALDH1A1 (0.39) TSHRALDH1A1FASNCDC25ACDC25B
SCHEMBL4663052 0.88 ALDH1A1 (0.39) TSHRALDH1A1FASNCDC25ACDC25B
SCHEMBL4663046 0.85 CDC25B (0.43) TSHRALDH1A1CDC25ACDC25BDUSP3
SCHEMBL4663043 0.85 CDC25B (0.43) TSHRALDH1A1CDC25ACDC25BDUSP3
SCHEMBL4663045 0.85 CDC25B (0.43) TSHRALDH1A1CDC25ACDC25BDUSP3
SCHEMBL4664874 0.84 ALDH1A1 (0.39) TSHRALDH1A1FASNCDC25ACDC25B
SCHEMBL4664865 0.84 ALDH1A1 (0.39) TSHRALDH1A1FASNCDC25ACDC25B
SCHEMBL4664871 0.84 ALDH1A1 (0.39) TSHRALDH1A1FASNCDC25ACDC25B
SCHEMBL4666713 0.83 DUSP3 (0.38) TSHRALDH1A1CDC25ACDC25BDUSP3

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 TSHR 412/4885ALDH1A1 2826/4885FASN 953/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 TSHR 412/4885ALDH1A1 2826/4885FASN 953/4885

“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.