SCHEMBL2840348

SCHEMBL2840348

C=C1CNC(C(Oc2c(F)ccc3c(=O)c(C(=O)OCc4ccccc4)cn(C4CC4)c23)C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.38
STAT3 P40763 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNH2 Q12809 5/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PRKD3 O94806 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
CLK2 P49760 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ADRB2 P07550 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL585403 0.92 GSK3B (0.41) GSK3BSTAT3KDM4EALDH1A1POLB
SCHEMBL2837867 0.92 GSK3B (0.41) GSK3BSTAT3KDM4EALDH1A1POLB
SCHEMBL2842839 0.91 ADRB2 (0.40) GSK3BKDM4EALDH1A1POLBTDP1
SCHEMBL2843256 0.89 KCNH2 (0.41) GSK3BKDM4EALDH1A1POLBTDP1
SCHEMBL2840260 0.85 GSK3B (0.36) GSK3BSTAT3TSHRMAPK1KDM4E
SCHEMBL584972 0.82 ADRB2 (0.46) GSK3BSTAT3KDM4EALDH1A1POLB
SCHEMBL2838588 0.82 ADRB2 (0.46) GSK3BSTAT3KDM4EALDH1A1POLB
SCHEMBL583952 0.82 STAT3 (0.41) STAT3TSHRMAPK1KDM4EALDH1A1
SCHEMBL2527145 0.82 STAT3 (0.41) STAT3TSHRMAPK1KDM4EALDH1A1
SCHEMBL585355 0.80 KCNH2 (0.46) GSK3BKDM4EALDH1A1POLBTDP1

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 3 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-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

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-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 GSK3B 4330/4885STAT3 4545/4885TSHR 1098/4885

“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.