SCHEMBL4662986

SCHEMBL4662986

COc1ccccc1OCC(=O)C1=C(O)C(CC(C)SC)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.42
HSD17B10 Q99714 2/20 0.39
HPGD P15428 5/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
DUSP3 P51452 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
GAA P10253 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
SCHEMBL4666580 0.90 SMN1; SMN2 (0.45) SMN1; SMN2POLBHSD17B10HPGDMAPT
SCHEMBL4664866 0.86 HPGD (0.43) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL4664730 0.81 POLB (0.48) SMN1; SMN2POLBHSD17B10HPGDMAPT
SCHEMBL4662958 0.79 SMN1; SMN2 (0.46) SMN1; SMN2POLBHSD17B10HPGDMAPT
SCHEMBL4663294 0.78 KMT2A (0.40) SMN1; SMN2HSD17B10HPGDMAPTHTT
SCHEMBL4664880 0.78 LMNA (0.37) SMN1; SMN2POLBHPGDMAPTHTT
SCHEMBL4666574 0.78 PTPN1 (0.38) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL4664736 0.78 ALDH1A1 (0.42) SMN1; SMN2POLBMAPTHTTSTAT3
SCHEMBL4664983 0.77 HPGD (0.52) SMN1; SMN2POLBHSD17B10HPGDMAPT
SCHEMBL4662964 0.77 SMN1; SMN2 (0.44) SMN1; SMN2POLBHSD17B10HPGDMAPT

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 6 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
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 SMN1; SMN2 1277/4885POLB 1560/4885HSD17B10 1577/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 SMN1; SMN2 1277/4885POLB 1560/4885HSD17B10 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.