Sugi Predict

Sugi Predict / Compounds / SCHEMBL4662968

SCHEMBL4662968

SCHEMBL4662968

CSC(C)CC1OC(=O)C(C(=O)C(C)Oc2ccccc2)=C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HCRTR1 O43613 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ AR P10275 1/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ ACP1 P24666 2/20 0.34
▸ CDC25B P30305 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL4664785 0.89 HPGD (0.40) HPGDGAACYP1A2CYP2C9PKM
SCHEMBL4664773 0.87 ALDH1A1 (0.40) HPGDALDH1A1TSHRPTPN1ACP1
SCHEMBL4664709 0.83 CDC25B (0.33) KDM4EPTPN1ACP1CDC25BMAPT
SCHEMBL4664926 0.83 L3MBTL1 (0.36) KDM4EPTPN1ACP1CDC25BMAPT
SCHEMBL4664877 0.80 LMNA (0.44) GAAALDH1A1HTTTSHRPOLB
SCHEMBL4664941 0.77 PTPN1 (0.36) HPGDCYP2C9KDM4EALDH1A1POLB
SCHEMBL4662950 0.76 HPGD (0.36) HPGDCYP2C19ALDH1A1POLBPTPN1
SCHEMBL4666595 0.74 PTPN1 (0.44) HPGDPKMPTPN1ACP1CDC25B
SCHEMBL4666578 0.73 CDC25B (0.34) KDM4EPTPN1ACP1CDC25BMAPT
SCHEMBL4665036 0.72 ALOX5 (0.43) PTPN1ACP1CDC25BMAPTMEN1

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 HPGD 4570/4885GAA 70/4885CYP1A2 2117/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 HPGD 4570/4885GAA 70/4885CYP1A2 2117/4885

“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.