SCHEMBL4938374

SCHEMBL4938374

COC(=O)c1cc(S(C)(=O)=O)ccc1-c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PTGS2 P35354 10/20 0.54
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SLC6A9 P48067 4/20 0.50
PTGS1 P23219 2/20 0.50
IKBKB O14920 1/20 0.50
GPR55 Q9Y2T6 2/20 0.49
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL4935166 0.86 KDM4E (0.71) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL3874637 0.86 PTGS2 (0.65) SLC6A4SLC6A3PTGS2KDM4ECYP1A2
SCHEMBL4941127 0.85 SLC6A9 (0.51) SLC6A4SLC6A3PTGS2KDM4ECYP1A2
SCHEMBL4935564 0.85 PTGS2 (0.48) SLC6A4SLC6A3PTGS2CYP1A2SLC6A9
SCHEMBL1812902 0.84 PTGS2 (0.58) PTGS2SLC6A9IKBKBGPR55
SCHEMBL3885650 0.83 CYP46A1 (0.66) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL27362321 0.81 PTGS2 (0.54) PTGS2SLC6A9IKBKBGPR55
SCHEMBL4941551 0.80 PTGS2 (0.48) SLC6A4SLC6A3PTGS2KDM4ESLC6A9
SCHEMBL2642360 0.79 TSHR (0.58) PTGS2KDM4ECYP2D6CYP2C9PTGS1
SCHEMBL4944459 0.78 NR4A2 (0.44) PTGS2KDM4ECYP1A2CYP2D6CYP2C9

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 SLC6A4 11/4885SLC6A3 10/4885PTGS2 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.