SCHEMBL4934685

SCHEMBL4934685

COC(=O)c1cc(S(C)(=O)=O)ccc1-c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
AXL P30530 1/20 0.44
PTGS2 P35354 3/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP46A1 Q9Y6A2 1/20 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
IDH2 P48735 10/20 0.42
PTGS1 P23219 1/20 0.39

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
SCHEMBL4940341 0.85 LMNA (0.51) PTGS2IDH2
SCHEMBL3885650 0.81 CYP46A1 (0.66) NR4A2AXLPTGS2KDM4ECYP46A1
SCHEMBL3874637 0.81 PTGS2 (0.65) PTGS2KDM4ECYP46A1CYP1A2CYP2D6
SCHEMBL13893700 0.79 PTGS2 (0.44) PTGS2IDH2
SCHEMBL4938374 0.78 SLC6A4 (0.58) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4935166 0.78 KDM4E (0.71) PTGS2KDM4ECYP46A1CYP1A2CYP2D6
SCHEMBL4941143 0.78 PTGS2 (0.56) NR4A2PTGS2CYP46A1PTGS1
SCHEMBL4944459 0.76 NR4A2 (0.44) NR4A2PTGS2KDM4ECYP46A1CYP1A2
SCHEMBL4938007 0.76 KMT2A (0.45) NR4A2PTGS2KDM4E
SCHEMBL16875865 0.76 SLC6A3 (0.58) NR4A2AXLKDM4E

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 2064/4885AXL 4880/4885PTGS2 2558/4885

“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.