Sugi Predict

Sugi Predict / Compounds / SCHEMBL4662936

SCHEMBL4662936

SCHEMBL4662936

CC(=O)N1C=Cc2ccccc2C1CC(=O)C1=C(O)C(CC(C)C)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.33
▸ ACP1 P24666 4/20 0.33
▸ CDC25B P30305 4/20 0.33
▸ MAPT P10636 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ DUSP3 P51452 2/20 0.31

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
SCHEMBL4666714 0.92 PTPN1 (0.32) PTPN1ACP1CDC25BMAPTALDH1A1
SCHEMBL4663039 0.85 ALDH1A1 (0.36) PTPN1ACP1CDC25BMAPTALDH1A1
SCHEMBL4663214 0.80 KDM4E (0.37) MAPTKDM4E
SCHEMBL4664738 0.72 ATM (0.45) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL4662962 0.72 HTR2A (0.39) PTPN1ACP1CDC25BMAPTALDH1A1
SCHEMBL4665125 0.72 PTPN1 (0.35) PTPN1ACP1CDC25BMAPTALDH1A1
SCHEMBL4663032 0.70 PTPN1 (0.40) PTPN1ACP1CDC25BMAPTALDH1A1
SCHEMBL4664770 0.68 PTPN1 (0.39) PTPN1ACP1CDC25BMAPTALDH1A1
SCHEMBL4664751 0.67 CDC25B (0.43) PTPN1ACP1CDC25BMAPTMEN1
SCHEMBL4665112 0.67 HPGD (0.39) PTPN1ACP1CDC25BMAPTALDH1A1

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.