SCHEMBL2527746

SCHEMBL2527746

O=[PH2]OC(OCc1ccccc1)(OCc1ccccc1)C1CN(c2ccc(OC[C@]3(O)C[C@H]4COc5c(c(F)cc6c(=O)c(C(=O)O)cn(C7CC7)c56)N4C3)c(F)c2)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 4/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 3/20 0.33
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
ALB P02768 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
AADAT Q8N5Z0 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL2529959 0.91 GSK3B (0.32) GSK3BKDM4EALDH1A1POLBLMNA
SCHEMBL584539 0.85 KDM4E (0.35) GSK3BKDM4EALDH1A1POLBLMNA
SCHEMBL583932 0.84 KCNH2 (0.39) KDM4EALDH1A1POLBTDP1KCNH2
SCHEMBL583933 0.84 KCNH2 (0.39) KDM4EALDH1A1POLBTDP1KCNH2
SCHEMBL2531151 0.83 CALML3 (0.34) GSK3BKDM4EALDH1A1POLBLMNA
SCHEMBL584990 0.83 CALML3 (0.34) GSK3BKDM4EALDH1A1POLBLMNA
SCHEMBL2843680 0.82 KCNH2 (0.40) KDM4EALDH1A1POLBTDP1KCNH2
SCHEMBL2846616 0.82 KCNH2 (0.40) KDM4EALDH1A1POLBTDP1KCNH2
SCHEMBL2843715 0.81 KCNH2 (0.36) KDM4EALDH1A1POLBLMNANPSR1
SCHEMBL541884 0.81 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039466-B2 5-hydroxymethyl-oxazolidin-2-one antibacterials ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US disclosed
US-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS ACTELION PHARMACEUTICALS, LTD. (CH) 2010-03-18 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-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS OGFOD1, ODC1, OXGR1 GSK3B 3710/4885KDM4E 1273/4885ALDH1A1 698/4885

“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.