SCHEMBL4657692

SCHEMBL4657692

C=C(O)CSC1=CC(=O)C(=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.56
MAP2K7 O14733 3/20 0.56
CDC25A P30304 3/20 0.56
S100A4 P26447 5/20 0.50
SOAT1 P35610 4/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
NSD2 O96028 2/20 0.44
HKDC1 Q2TB90 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 1/20 0.44
GALK1 P51570 1/20 0.44

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
SCHEMBL17445488 0.79 CDC25B (0.78) CDC25BMAP2K7CDC25AS100A4SOAT1
SCHEMBL4629512 0.77 S100A4 (0.76) CDC25BMAP2K7CDC25AS100A4SOAT1
SCHEMBL4784115 0.75 PTPRC (0.50) CDC25BMAP2K7CDC25AS100A4SOAT1
SCHEMBL18191031 0.72 CDC25B (1.00) CDC25BMAP2K7CDC25AS100A4SOAT1
SCHEMBL31745097 0.72 CDC25B (1.00) CDC25BMAP2K7CDC25AS100A4SOAT1
SCHEMBL17445487 0.71 SOAT1 (0.51) CDC25BMAP2K7CDC25AS100A4SOAT1
SCHEMBL4848419 0.70 SOAT1 (0.78) CDC25BMAP2K7CDC25AS100A4SOAT1
SCHEMBL2599351 0.67 S100A4 (1.00) CDC25BMAP2K7CDC25AS100A4SOAT1
SCHEMBL11569786 0.64 FFAR1 (0.60) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL2599403 0.63 S100A4 (1.00) CDC25BMAP2K7CDC25AS100A4SOAT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567515-A4 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE INC (US) 2008-04-23 EP disclosed
EP-1567515-A2 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-08-31 EP disclosed
US-20040266857-A1 Novel lapachone compounds and methods of use thereof HINES GLOBAL EDUCATION 2004-12-30 US disclosed
WO-2004045557-A2 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-06-03 WO 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 (1 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-20040266857-A1 Novel lapachone compounds and methods of use thereof XIAP, MKI67, PIN1 CDC25B 143/4885MAP2K7 1605/4885CDC25A 109/4885

“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.