SCHEMBL4663283

SCHEMBL4663283

NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.46
FFAR4 Q5NUL3 2/20 0.46
LTA4H P09960 5/20 0.45
LAP3 P28838 1/20 0.45
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
LNPEP Q9UIQ6 3/20 0.42
DPP4 P27487 1/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
MAOB P27338 1/20 0.40

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
SCHEMBL4663289 1.00 FFAR1 (0.46) FFAR1FFAR4LTA4HLAP3PPARG
SCHEMBL4663286 1.00 FFAR1 (0.46) FFAR1FFAR4LTA4HLAP3PPARG
SCHEMBL4664841 0.89 SLC7A5 (0.44) LTA4HDPP4
SCHEMBL4664838 0.89 SLC7A5 (0.44) LTA4HDPP4
SCHEMBL4664844 0.89 SLC7A5 (0.44) LTA4HDPP4
SCHEMBL4663056 0.81 FFAR1 (0.46) FFAR1FFAR4LTA4HLAP3PPARG
SCHEMBL4664891 0.80 BCL2 (0.51)
SCHEMBL4666840 0.80 BCL2 (0.51)
SCHEMBL4664987 0.80 BCL2 (0.51)
SCHEMBL4664894 0.80 BCL2 (0.51)

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 FFAR1 601/4885FFAR4 1654/4885LTA4H 1086/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 FFAR1 601/4885FFAR4 1654/4885LTA4H 1086/4885

“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.