SCHEMBL4662991

SCHEMBL4662991

CC(C)CC1OC(=O)C(C(=O)Cc2ccc(Cl)cc2)=C1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 5/20 0.43
CDC25B P30305 2/20 0.43
CDC25A P30304 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 3/20 0.40
PIK3CA P42336 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 2/20 0.38
ACP1 P24666 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN2 P17706 1/20 0.38
HPSE Q9Y251 1/20 0.38
CNR2 P34972 5/20 0.37

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
SCHEMBL4663032 0.88 PTPN1 (0.40) DUSP3CDC25BCDC25AMAPTMEN1
SCHEMBL4662955 0.84 DUSP3 (0.41) DUSP3CDC25BCDC25A
SCHEMBL4662974 0.82 ALOX5 (0.45) DUSP3CDC25BL3MBTL1MAPTMEN1
SCHEMBL4663237 0.79 CDC25B (0.39) DUSP3CDC25BCDC25AL3MBTL1MAPT
SCHEMBL4663314 0.78 PTPN1 (0.44) DUSP3CDC25BMAPTMEN1KMT2A
SCHEMBL4662972 0.77 PTPN1 (0.43) DUSP3CDC25BCDC25ANPC1RAB9A
SCHEMBL4664751 0.77 CDC25B (0.43) DUSP3CDC25BCDC25ANPC1MAPT
SCHEMBL4664770 0.75 PTPN1 (0.39) DUSP3CDC25BCDC25AMAPTMEN1
SCHEMBL4664706 0.75 PTPN1 (0.49) DUSP3CDC25BCDC25AMAPTPTPN1
SCHEMBL4664973 0.75 PTPN1 (0.47) DUSP3CDC25BCDC25ANPC1RAB9A

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
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 DUSP3 3878/4885CDC25B 3121/4885CDC25A 2484/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 DUSP3 3878/4885CDC25B 3121/4885CDC25A 2484/4885

“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.