SCHEMBL2842834

SCHEMBL2842834

C=C1C[C@@H](COc2c(F)ccc3c(=O)c(C(=O)OCC)cn(C4CC4)c23)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
BTK Q06187 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 4/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
STAT3 P40763 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2842832 1.00 ADRB2 (0.40) ADRB2KMT2AMEN1BTKTDP1
SCHEMBL2843254 0.91 KCNH2 (0.41) TDP1KCNH2GSK3BALDH1A1LMNA
SCHEMBL2843251 0.91 KCNH2 (0.41) TDP1KCNH2GSK3BALDH1A1LMNA
SCHEMBL2840345 0.91 GSK3B (0.38) ADRB2KMT2AMEN1TDP1KCNH2
SCHEMBL2840344 0.91 GSK3B (0.38) ADRB2KMT2AMEN1TDP1KCNH2
SCHEMBL2838587 0.90 ADRB2 (0.47) ADRB2KMT2ATDP1KCNH2GSK3B
SCHEMBL584970 0.90 ADRB2 (0.47) ADRB2KMT2ATDP1KCNH2GSK3B
SCHEMBL584971 0.90 ADRB2 (0.47) ADRB2KMT2ATDP1KCNH2GSK3B
SCHEMBL585402 0.82 STAT3 (0.43) ADRB2TDP1KCNH2GSK3BALDH1A1
SCHEMBL2837862 0.82 STAT3 (0.43) ADRB2TDP1KCNH2GSK3BALDH1A1

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 ADRB2 1777/4885KMT2A 2428/4885MEN1 3273/4885

“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.