SCHEMBL4663353

SCHEMBL4663353

Cc1cccc(CCC(=O)C2=C(O)C(CC(C)C)OC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 12/20 0.45
DAO P14920 2/20 0.40
PTPN1 P18031 4/20 0.39
ACP1 P24666 3/20 0.39
CDC25B P30305 3/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN2 P17706 1/20 0.39
HPSE Q9Y251 1/20 0.39
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 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
SCHEMBL4662957 0.90 DUSP3 (0.43) DUSP3DAOPTPN1ACP1CDC25B
SCHEMBL4664815 0.88 CDC25B (0.48) DUSP3DAOPTPN1ACP1CDC25B
SCHEMBL4662972 0.87 PTPN1 (0.43) DUSP3PTPN1ACP1CDC25BMAPT
SCHEMBL4663210 0.84 DUSP3 (0.45) DUSP3DAOPTPN1ACP1CDC25B
SCHEMBL4664722 0.81 ALDH1A1 (0.46) DUSP3PTPN1ACP1CDC25BMAPT
SCHEMBL4664973 0.80 PTPN1 (0.47) DUSP3PTPN1ACP1CDC25BMAPT
SCHEMBL4664856 0.78 CDC25B (0.46) DUSP3DAOPTPN1ACP1CDC25B
SCHEMBL4663032 0.78 PTPN1 (0.40) DUSP3PTPN1ACP1CDC25BMAPT
SCHEMBL4663030 0.77 PTPN1 (0.41) DUSP3PTPN1ACP1CDC25BMAPT
SCHEMBL4664706 0.76 PTPN1 (0.49) DUSP3PTPN1ACP1CDC25BMAPT

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 3878/4885DAO 2538/4885PTPN1 2489/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 DUSP3 3878/4885DAO 2538/4885PTPN1 2489/4885

“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.