SCHEMBL4664804

SCHEMBL4664804

COc1ccc(CCC(=O)C2=C(O)C(CC(C)SC)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.44
DUSP3 P51452 2/20 0.44
CDC25A P30304 1/20 0.44
ALDH1A1 P00352 5/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
F2RL1 P55085 1/20 0.42
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 3/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ACP1 P24666 2/20 0.39
RECQL P46063 1/20 0.39
PTPN2 P17706 1/20 0.39

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
SCHEMBL4663030 0.90 PTPN1 (0.41) CDC25BDUSP3CDC25AALDH1A1SLC5A1
SCHEMBL4664722 0.90 ALDH1A1 (0.46) CDC25BDUSP3CDC25AALDH1A1NFKB1
SCHEMBL4664856 0.88 CDC25B (0.46) CDC25BDUSP3CDC25APTPN1ACP1
SCHEMBL4664876 0.84 TSHR (0.41) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL4666595 0.83 PTPN1 (0.44) CDC25BDUSP3CDC25ANPC1RAB9A
SCHEMBL4662996 0.82 NPC1 (0.53) CDC25BDUSP3CDC25AALDH1A1NFKB1
SCHEMBL4664893 0.80 PTPN1 (0.46) CDC25BDUSP3PTPN1MAPTTDP1
SCHEMBL4664886 0.79 HSD17B10 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL4663294 0.79 KMT2A (0.40) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL4664880 0.79 LMNA (0.37) CDC25BDUSP3CDC25AALDH1A1NPC1

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.