SCHEMBL541401

SCHEMBL541401

O=C(OCc1ccccc1)N1CC[C@H](COc2ccc(N3C[C@H](CO)OC3=O)cc2F)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.42
PDE4B Q07343 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 2/20 0.41
GRIN2B Q13224 3/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
GRM2 Q14416 1/20 0.38

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
SCHEMBL541400 1.00 CALML3 (0.47) CALML3PTGDR2PDE4BSMN1; SMN2CYP2C19
SCHEMBL541638 0.88 PDE4B (0.40) PTGDR2PDE4BSMN1; SMN2CYP2C19GRIN2B
SCHEMBL3813623 0.86 CALML3 (0.46) CALML3SMN1; SMN2CYP2C19MAOAMAOB
SCHEMBL541127 0.85 CALML3 (0.47) CALML3SMN1; SMN2CYP2C19MAOAMAOB
SCHEMBL541126 0.85 CALML3 (0.47) CALML3SMN1; SMN2CYP2C19MAOAMAOB
SCHEMBL709604 0.84 CALML3 (0.46) CALML3PDE4BCYP2C19MAOAMAOB
SCHEMBL709605 0.84 CALML3 (0.46) CALML3PDE4BCYP2C19MAOAMAOB
SCHEMBL1424121 0.84 CALML3 (0.46) CALML3PDE4BCYP2C19MAOAMAOB
SCHEMBL541639 0.84 PDE4B (0.39) PTGDR2PDE4BSMN1; SMN2CYP2C19GRIN2B
SCHEMBL541807 0.83 CALML3 (0.59) CALML3CYP2C19MAOAMAOBCYP2C9

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-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 3066/4885PTGDR2 3327/4885PDE4B 3900/4885

“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.