SCHEMBL4663078

SCHEMBL4663078

CSCCC(=O)C1=C(O)C(CCCN2CCOCC2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.41
ACP1 P24666 3/20 0.41
CDC25B P30305 3/20 0.41
MAPT P10636 3/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN2 P17706 1/20 0.41
DUSP3 P51452 1/20 0.41
HPSE Q9Y251 1/20 0.41
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
CNR2 P34972 1/20 0.36
MDM2 Q00987 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PAOX Q6QHF9 1/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4663079 0.82 ALDH1A1 (0.47) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL4664875 0.81 POLB (0.52) MAPTALDH1A1KMT2AGAAMEN1
SCHEMBL4666623 0.80 FKBP1A (0.49) MAPTALDH1A1KDM4E
SCHEMBL4663080 0.80 CNR2 (0.48) KMT2ACNR2MDM2MEN1
SCHEMBL4662967 0.79 CYP1A2 (0.40) ALDH1A1KMT2ACNR2MDM2CYP2D6
SCHEMBL4664924 0.79 ALDH1A1 (0.43) ALDH1A1KMT2ACNR2GAAMEN1
SCHEMBL4663356 0.79 ALDH1A1 (0.46) MAPTALDH1A1KMT2AGAA
SCHEMBL4664728 0.79 TSHR (0.43) DUSP3ALDH1A1KMT2AGAAMEN1
SCHEMBL4666710 0.78 POLB (0.46) CDC25BDUSP3ALDH1A1CYP2C19
SCHEMBL4664758 0.78 ALDH1A1 (0.42) MAPTALDH1A1KMT2ACYP3A4GAA

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 PTPN1 2489/4885ACP1 2849/4885CDC25B 3121/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 PTPN1 2489/4885ACP1 2849/4885CDC25B 3121/4885

“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.