SCHEMBL4937565

SCHEMBL4937565

COC(=O)c1cc(S(C)(=O)=O)ccc1-c1cccc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS2 P35354 2/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
DGAT2 Q96PD7 1/20 0.46
SLC22A12 Q96S37 1/20 0.44
GAA P10253 1/20 0.43
KAT6A Q92794 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE4B Q07343 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4941594 0.88 SMN1; SMN2 (0.54) PTGS2LMNASMN1; SMN2DGAT2
SCHEMBL4935166 0.85 KDM4E (0.71) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3874637 0.85 PTGS2 (0.65) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4941127 0.85 SLC6A9 (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4941143 0.80 PTGS2 (0.56) PTGS2ALDH1A1
SCHEMBL30285198 0.79 SLC6A3 (0.66) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22336247 0.79 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3885650 0.77 CYP46A1 (0.66) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4938374 0.77 SLC6A4 (0.58) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20208770 0.76 KDM4E (0.56) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
EP-1858869-A1 ACYLATED PIPERIDINES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 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 (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-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors SLC1A1, SLC6A7, SLC1A2 KDM4E 1931/4885CYP1A2 1671/4885CYP2D6 1388/4885

“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.