SCHEMBL585458

SCHEMBL585458

CCn1cc(C(=O)OCc2ccccc2)c(=O)c2cc(F)c(F)c(OC(C(=O)OC(C)(C)C)[C@@H]3C[C@@](O)(CO)CN3)c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 5/20 0.34
HSD17B10 Q99714 4/20 0.34
PMP22 Q01453 1/20 0.34
TOP1 P11387 3/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL583952 0.86 STAT3 (0.41) STAT3TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2527145 0.86 STAT3 (0.41) STAT3TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2840260 0.83 GSK3B (0.36) STAT3TSHRMAPK1ALDH1A1KDM4E
SCHEMBL584783 0.83 STAT3 (0.45) STAT3TSHRMAPK1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL584782 0.82 STAT3 (0.44) STAT3TSHRMAPK1ALDH1A1KDM4E
SCHEMBL585457 0.79 STAT3 (0.41) STAT3TSHRMAPK1ALDH1A1KDM4E
SCHEMBL4724984 0.78 GPBAR1 (0.34) TSHRGPBAR1
SCHEMBL3895617 0.76 CASP1 (0.30)
SCHEMBL584986 0.76 KDM4E (0.41) STAT3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL585403 0.76 GSK3B (0.41) STAT3ALDH1A1KDM4EHPGDHSD17B10

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 8 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
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 (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 4566/4885TSHR 2013/4885MAPK1 2698/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 STAT3 4545/4885TSHR 1098/4885MAPK1 3164/4885

“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.