SCHEMBL4664736

SCHEMBL4664736

COc1ccc(CCCC(=O)C2=C(O)C(CC(C)SC)OC2=O)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 3/20 0.39
MAPT P10636 2/20 0.39
ACP1 P24666 2/20 0.39
CDC25B P30305 2/20 0.39
RECQL P46063 1/20 0.39
PTPN2 P17706 1/20 0.39
DUSP3 P51452 1/20 0.39
HPSE Q9Y251 1/20 0.39
SELP P16109 1/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL4664800 0.91 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2PLAAT3PLAAT5
SCHEMBL4666595 0.84 PTPN1 (0.44) TDP1SMN1; SMN2LMNAPTPN1MAPT
SCHEMBL4664804 0.83 CDC25B (0.44) ALDH1A1TDP1SMN1; SMN2KMT2ALMNA
SCHEMBL4663302 0.82 PLAAT3 (0.52) ALDH1A1TDP1SMN1; SMN2PLAAT3PLAAT5
SCHEMBL4664876 0.82 TSHR (0.41) KMT2ALMNANPC1RAB9AHTT
SCHEMBL4664856 0.82 CDC25B (0.46) PTPN1ACP1CDC25BDUSP3
SCHEMBL4664880 0.81 LMNA (0.37) ALDH1A1TDP1SMN1; SMN2KMT2ALMNA
SCHEMBL4663294 0.77 KMT2A (0.40) ALDH1A1SMN1; SMN2KMT2ALMNAKDM4E
SCHEMBL4664886 0.77 HSD17B10 (0.45) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL4663030 0.77 PTPN1 (0.41) ALDH1A1TDP1KMT2APTPN1MAPT

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 ALDH1A1 2826/4885TDP1 584/4885SMN1; SMN2 1277/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885TDP1 584/4885SMN1; SMN2 1277/4885

“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.