SCHEMBL4664877

SCHEMBL4664877

CCC(C(=O)C1=C(O)C(CC(C)SC)OC1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
CDC25B P30305 2/20 0.33
CDC25A P30304 1/20 0.33
DUSP3 P51452 1/20 0.33
KCNQ2 O43526 1/20 0.33
HTT P42858 1/20 0.33
PTPN1 P18031 1/20 0.33
ACP1 P24666 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4A O75164 1/20 0.33
BCHE P06276 1/20 0.33
GAA P10253 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
SCHEMBL4663061 0.89 LMNA (0.47) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL4664926 0.87 L3MBTL1 (0.36) CDC25BCDC25ADUSP3PTPN1ACP1
SCHEMBL4664709 0.87 CDC25B (0.33) LMNAHSD17B10CDC25BCDC25ADUSP3
SCHEMBL4664773 0.82 ALDH1A1 (0.40) LMNAHSD17B10ALDH1A1CDC25BPTPN1
SCHEMBL4664941 0.81 PTPN1 (0.36) LMNAHSD17B10ALDH1A1POLBCDC25B
SCHEMBL4662968 0.80 HPGD (0.37) HSD17B10ALDH1A1POLBCDC25BHTT
SCHEMBL4665121 0.80 POLB (0.45) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL4665124 0.80 POLB (0.45) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL4662950 0.80 HPGD (0.36) ALDH1A1SMN1; SMN2POLBCDC25BDUSP3
SCHEMBL4663030 0.75 PTPN1 (0.41) ALDH1A1CDC25BCDC25ADUSP3PTPN1

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 LMNA 1625/4885HSD17B10 1577/4885CRHBP 4166/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 LMNA 1625/4885HSD17B10 1577/4885CRHBP 4166/4885

“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.