SCHEMBL541127

SCHEMBL541127

O=C(OCc1ccccc1)N1CCC(O)(COc2ccc(N3CC(CO)OC3=O)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.47
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 1/20 0.39
KDM1A O60341 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ENPP2 Q13822 1/20 0.38
ATXN2 Q99700 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL541126 1.00 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL709605 0.96 CALML3 (0.46) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL1424121 0.96 CALML3 (0.46) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL709604 0.96 CALML3 (0.46) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL701777 0.90 MAOA (0.51) CALML3MAOAMAOB
SCHEMBL2109046 0.87 MAOA (0.49) CALML3MAOAMAOB
SCHEMBL701776 0.86 SMN1; SMN2 (0.37) CYP2C19KDM1ASMN1; SMN2ENPP2ATXN2
SCHEMBL541401 0.85 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL541400 0.85 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL17769349 0.85 CALML3 (0.45) CALML3MAOAMAOBCYP2C19CYP2C9

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 4 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 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 CALML3 3066/4885MAOA 447/4885MAOB 846/4885

“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.