SCHEMBL541976

SCHEMBL541976

O=C(O)c1cn(C2CC2)c2nc(N3CCC(O)(COc4ccc(N5CC(CO)OC5=O)cc4F)CC3)c(F)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
CHRM2 P08172 1/20 0.45
DRD1 P21728 1/20 0.45
DHFR P00374 1/20 0.45
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ABCC4 O15439 1/20 0.43
CYP2C9 P11712 3/20 0.39
ATP6V1B2 P21281 1/20 0.39
TBXA2R P21731 1/20 0.39
EDNRA P25101 1/20 0.39
TARBP2 Q15633 1/20 0.39
CALML3 P27482 2/20 0.38
KMT2A Q03164 1/20 0.38
EPHA2 P29317 1/20 0.36
FLT4 P35916 1/20 0.36
GSK3B P49841 1/20 0.36
RARB P10826 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL541170 1.00 DPP4 (0.47) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL541171 0.93 DPP4 (0.39) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL2109029 0.91 DPP4 (0.45) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL9890813 0.91 DPP4 (0.45) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL2108996 0.89 DPP4 (0.43) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL2108789 0.88 DPP4 (0.44) DPP4CHRM2DRD1DHFRLMNA
Cadazolid SCHEMBL29379581 0.87 KDM4E (0.52) LMNAKDM4EHSD17B10CYP2C9ALDH1A1
Cadazolid SCHEMBL541681 0.87 KDM4E (0.52) LMNAKDM4EHSD17B10CYP2C9ALDH1A1
Cadazolid SCHEMBL541618 0.87 KDM4E (0.52) LMNAKDM4EHSD17B10CYP2C9ALDH1A1
SCHEMBL541496 0.85 CALML3 (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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
EP-2296651-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-18 EP claimed
US-8124623-B2 5-hydroxymethyl-oxazolidin-2-one-derivatives and their uses as antibacterials ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-28 US claimed
EP-2086968-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-08 EP claimed
US-20090247578-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE-DERIVATIVES AND THEIR USES AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-01 US claimed
EP-2296651-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-18 EP disclosed
US-8124623-B2 5-hydroxymethyl-oxazolidin-2-one-derivatives and their uses as antibacterials ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-28 US disclosed
EP-2086968-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-08 EP disclosed
US-20090247578-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE-DERIVATIVES AND THEIR USES AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-01 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-20090247578-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE-DERIVATIVES AND THEIR USES AS ANTIBACTERIALS OGFOD1, OXGR1, ODC1 DPP4 502/4885CHRM2 572/4885DRD1 1148/4885

“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.