Sugi Predict

Sugi Predict / Compounds / SCHEMBL4663310

SCHEMBL4663310

SCHEMBL4663310

CCC(S)C(=O)C1=C(O)C(CCc2ccccc2)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 4/20 0.39
▸ DUSP3 P51452 2/20 0.39
▸ CDC25A P30304 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPSE Q9Y251 2/20 0.36
▸ FASN P49327 1/20 0.35
▸ PTPN1 P18031 4/20 0.34
▸ ACP1 P24666 3/20 0.34
▸ PLA2G6 O60733 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PLA2G4A P47712 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ MME P08473 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 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
SCHEMBL4665121 0.84 POLB (0.45) CDC25BDUSP3CDC25AALDH1A1HPSE
SCHEMBL4665117 0.84 POLB (0.45) CDC25BDUSP3CDC25AALDH1A1HPSE
SCHEMBL4665124 0.84 POLB (0.45) CDC25BDUSP3CDC25AALDH1A1HPSE
SCHEMBL4663052 0.82 ALDH1A1 (0.39) CDC25BDUSP3CDC25AALDH1A1FASN
SCHEMBL4663054 0.82 ALDH1A1 (0.39) CDC25BDUSP3CDC25AALDH1A1FASN
SCHEMBL4663050 0.82 ALDH1A1 (0.39) CDC25BDUSP3CDC25AALDH1A1FASN
SCHEMBL4664865 0.81 ALDH1A1 (0.39) CDC25BDUSP3CDC25AALDH1A1FASN
SCHEMBL4664874 0.81 ALDH1A1 (0.39) CDC25BDUSP3CDC25AALDH1A1FASN
SCHEMBL4664871 0.81 ALDH1A1 (0.39) CDC25BDUSP3CDC25AALDH1A1FASN
SCHEMBL4664864 0.81 TSHR (0.38) CDC25BDUSP3CDC25AALDH1A1FASN

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