SCHEMBL4944459

SCHEMBL4944459

COC(=O)c1cc(S(C)(=O)=O)ccc1-c1ccoc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
PTGS2 P35354 1/20 0.44
METAP2 P50579 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SCD O00767 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.40
LRRK2 Q5S007 1/20 0.40
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
MAP4K4 O95819 1/20 0.38
TGFBR1 P36897 1/20 0.38
SDHB P21912 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 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
SCHEMBL4941636 0.85 LMNA (0.51) METAP2SCDLRRK2LMNAMAP4K4
SCHEMBL3874637 0.81 PTGS2 (0.65) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2724048 0.80 GAA (0.49) NR4A2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL3885650 0.78 CYP46A1 (0.66) NR4A2PTGS2KDM4ECYP1A2CYP2D6
SCHEMBL4935166 0.78 KDM4E (0.71) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4938374 0.78 SLC6A4 (0.58) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4934685 0.76 NR4A2 (0.44) NR4A2PTGS2KDM4ECYP1A2CYP2D6
SCHEMBL4941127 0.75 SLC6A9 (0.51) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4937565 0.75 KDM4E (0.55) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4941143 0.75 PTGS2 (0.56) NR4A2PTGS2CYP46A1ALDH1A1

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 NR4A2 2064/4885PTGS2 2558/4885METAP2 1355/4885

“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.