SCHEMBL4664838

SCHEMBL4664838

NC(Cc1ccccc1)C(=O)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC15A1 P46059 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 1/20 0.38
DAGLA Q9Y4D2 1/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
HDAC8 Q9BY41 2/20 0.36
FASN P49327 1/20 0.35
CTSC P53634 1/20 0.35
DPP4 P27487 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
DUSP3 P51452 1/20 0.35

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
SCHEMBL4664844 1.00 SLC7A5 (0.44) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4664841 1.00 SLC7A5 (0.44) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4663283 0.89 FFAR1 (0.46) LTA4HDPP4
SCHEMBL4663286 0.89 FFAR1 (0.46) LTA4HDPP4
SCHEMBL4663289 0.89 FFAR1 (0.46) LTA4HDPP4
SCHEMBL4665115 0.86 ALDH1A1 (0.37) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4665119 0.86 ALDH1A1 (0.37) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4665123 0.86 ALDH1A1 (0.37) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4663052 0.86 ALDH1A1 (0.39) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4663054 0.86 ALDH1A1 (0.39) ALDH1A1FASNCDC25ACDC25BDUSP3

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 SLC7A5 4425/4885ALPI 1098/4885PKM 3258/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 SLC7A5 4425/4885ALPI 1098/4885PKM 3258/4885

“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.