SCHEMBL584569

SCHEMBL584569

CS(=O)(=O)OC[C@]1(O)C[C@H]2COc3c(c(F)cc4c(=O)c(C(=O)OCc5ccccc5)cn(C5CC5)c34)N2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.39
GSK3B P49841 1/20 0.38
KCNH2 Q12809 2/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALB P02768 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TUBB4A P04350 4/20 0.36
TUBB P07437 4/20 0.36
TUBA3C P0DPH7 4/20 0.36
TUBA1B P68363 4/20 0.36
TUBA4A P68366 4/20 0.36
TUBB4B P68371 4/20 0.36
TUBB3 Q13509 4/20 0.36
TUBB2A Q13885 4/20 0.36
TUBB8 Q3ZCM7 4/20 0.36
TUBA3E Q6PEY2 4/20 0.36
TUBA1A Q71U36 4/20 0.36

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
SCHEMBL2842845 1.00 STAT3 (0.39) STAT3GSK3BKCNH2KDM4EALDH1A1
SCHEMBL2841076 1.00 STAT3 (0.39) STAT3GSK3BKCNH2KDM4EALDH1A1
SCHEMBL2840230 1.00 STAT3 (0.39) STAT3GSK3BKCNH2KDM4EALDH1A1
SCHEMBL3224232 0.94 AADAT (0.38) STAT3GSK3BKCNH2KDM4EALDH1A1
SCHEMBL584188 0.94 AADAT (0.38) STAT3GSK3BKCNH2KDM4EALDH1A1
SCHEMBL584823 0.94 AADAT (0.38) STAT3GSK3BKCNH2KDM4EALDH1A1
SCHEMBL583944 0.94 AADAT (0.38) STAT3GSK3BKCNH2KDM4EALDH1A1
SCHEMBL2526336 0.94 AADAT (0.38) STAT3GSK3BKCNH2KDM4EALDH1A1
SCHEMBL584189 0.94 AADAT (0.38) STAT3GSK3BKCNH2KDM4EALDH1A1
SCHEMBL585464 0.94 AADAT (0.38) STAT3GSK3BKCNH2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US claimed
EP-2102217-B1 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-8039466-B2 5-hydroxymethyl-oxazolidin-2-one antibacterials ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US disclosed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US disclosed
US-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS ACTELION PHARMACEUTICALS, LTD. (CH) 2010-03-18 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-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS OGFOD1, ODC1, OXGR1 STAT3 4566/4885GSK3B 3710/4885KCNH2 594/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 STAT3 4545/4885GSK3B 4330/4885KCNH2 394/4885

“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.