SCHEMBL4663294

SCHEMBL4663294

COc1ccc(CC(=O)C2=C(O)C(CC(C)SC)OC2=O)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
OXTR P30559 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPT P10636 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
SCHEMBL4664886 0.92 HSD17B10 (0.45) KMT2AMEN1HTTTSHRLMNA
SCHEMBL4664876 0.87 TSHR (0.41) KMT2AMEN1HTTTSHRLMNA
SCHEMBL4664653 0.83 HSD17B10 (0.49) KMT2AMEN1HTTTSHRLMNA
SCHEMBL4663312 0.83 CDC25B (0.37) KMT2AMEN1HTTTSHRATM
SCHEMBL4664880 0.82 LMNA (0.37) KMT2AMEN1HTTTSHRLMNA
SCHEMBL4666664 0.81 ALDH1A1 (0.44) KMT2AMEN1HTTTSHRLMNA
SCHEMBL4665061 0.79 TSHR (0.43) KMT2AMEN1HTTTSHRNPC1
SCHEMBL4664804 0.79 CDC25B (0.44) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL4664856 0.78 CDC25B (0.46)
SCHEMBL4666574 0.78 PTPN1 (0.38) KMT2AMEN1TSHRLMNAALDH1A1

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 KMT2A 3781/4885MEN1 1292/4885HTT 81/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 KMT2A 3781/4885MEN1 1292/4885HTT 81/4885

“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.