Sugi Predict

Sugi Predict / Compounds / SCHEMBL2845823

SCHEMBL2845823

SCHEMBL2845823

O=C(OCc1ccccc1)c1cn(C2CC2)c2c(OC[C@@H]3C[C@@](O)(CO)CN3)c(F)ccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.39
▸ STAT3 P40763 1/20 0.38
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KCNH2 Q12809 4/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ TOP2A P11388 1/20 0.33
▸ TOP2B Q02880 1/20 0.33

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
Hydrochloric Acid SCHEMBL2843272 0.99 GSK3B (0.39) GSK3BSTAT3TSHRMAPK1ALDH1A1
SCHEMBL584801 0.92 STAT3 (0.45) GSK3BSTAT3ALDH1A1POLBKDM4E
SCHEMBL2840284 0.92 STAT3 (0.45) GSK3BSTAT3ALDH1A1POLBKDM4E
SCHEMBL2840027 0.92 STAT3 (0.45) GSK3BSTAT3ALDH1A1POLBKDM4E
SCHEMBL2839007 0.92 STAT3 (0.45) GSK3BSTAT3ALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL2841094 0.91 STAT3 (0.44) GSK3BSTAT3ALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL584800 0.91 STAT3 (0.44) GSK3BSTAT3ALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL2846598 0.91 STAT3 (0.44) GSK3BSTAT3ALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL2881303 0.91 STAT3 (0.44) GSK3BSTAT3ALDH1A1POLBKDM4E
SCHEMBL2840260 0.82 GSK3B (0.36) GSK3BSTAT3TSHRMAPK1ALDH1A1

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 7 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-1931684-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-06-18 — — EP claimed
WO-2007017828-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-02-15 — — WO 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
EP-1931684-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-06-18 — — EP disclosed
WO-2007017828-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-02-15 — — 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-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.