SCHEMBL4665140

SCHEMBL4665140

O=C(CC1c2ccccc2Sc2ccccc21)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CDC25B P30305 4/20 0.34
PTPN1 P18031 3/20 0.34
ACP1 P24666 3/20 0.34
GRM5 P41594 2/20 0.34
GRM1 Q13255 2/20 0.34
BCHE P06276 4/20 0.33
ACHE P22303 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CDC25A P30304 1/20 0.32
DUSP3 P51452 1/20 0.32
ADRB3 P13945 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4663307 0.87 ALDH1A1 (0.43) ALDH1A1HSD17B10CDC25BPTPN1ACP1
SCHEMBL4664757 0.84 MAPT (0.39) ALDH1A1HSD17B10CDC25BPTPN1ACP1
SCHEMBL4664735 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10CDC25BPTPN1ACP1
SCHEMBL4665125 0.81 PTPN1 (0.35) CYP2D6ALDH1A1HSD17B10CDC25BPTPN1
SCHEMBL4664811 0.81 ALDH1A1 (0.40) ALDH1A1CDC25BPTPN1ACP1L3MBTL1
SCHEMBL4666814 0.78 PTPN1 (0.33) ALDH1A1HSD17B10CDC25BPTPN1ACP1
SCHEMBL4664944 0.78 PTPN1 (0.44) ALDH1A1CDC25BPTPN1ACP1CDC25A
SCHEMBL4664852 0.76 TDP1 (0.49) ALDH1A1CDC25BPTPN1ACP1ACHE
SCHEMBL4663008 0.76 EPHX2 (0.47) CDC25BPTPN1ACP1RAB9A
SCHEMBL4666748 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10CDC25BPTPN1ACP1

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 CYP2D6 2202/4885ALDH1A1 2826/4885HSD17B10 1577/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CYP2D6 2202/4885ALDH1A1 2826/4885HSD17B10 1577/4885

“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.