SCHEMBL2837862

SCHEMBL2837862

C=C1C[C@H](COc2c(F)c(F)cc3c(=O)c(C(=O)OCc4ccccc4)cn(C4CC4)c23)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.43
GSK3B P49841 2/20 0.42
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRB2 P07550 1/20 0.38
TOP2A P11388 6/20 0.37
TOP2B Q02880 6/20 0.37
HPGD P15428 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL585402 1.00 STAT3 (0.43) STAT3GSK3BKDM4EPOLBALDH1A1
SCHEMBL585401 1.00 STAT3 (0.43) STAT3GSK3BKDM4EPOLBALDH1A1
SCHEMBL2840345 0.92 GSK3B (0.38) STAT3GSK3BKDM4EPOLBALDH1A1
SCHEMBL2840344 0.92 GSK3B (0.38) STAT3GSK3BKDM4EPOLBALDH1A1
SCHEMBL2838587 0.90 ADRB2 (0.47) STAT3GSK3BKDM4EPOLBALDH1A1
SCHEMBL584971 0.90 ADRB2 (0.47) STAT3GSK3BKDM4EPOLBALDH1A1
SCHEMBL584970 0.90 ADRB2 (0.47) STAT3GSK3BKDM4EPOLBALDH1A1
SCHEMBL583954 0.90 STAT3 (0.43) STAT3KDM4EALDH1A1TDP1HPGD
SCHEMBL585353 0.89 KCNH2 (0.44) GSK3BKDM4EPOLBALDH1A1LMNA
SCHEMBL585354 0.89 KCNH2 (0.44) GSK3BKDM4EPOLBALDH1A1LMNA

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 STAT3 4545/4885GSK3B 4330/4885KDM4E 2548/4885

“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.