SCHEMBL4935564

SCHEMBL4935564

COC(=O)c1cc(S(C)(=O)=O)ccc1-c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.48
PTGS1 P23219 5/20 0.48
ALPL P05186 1/20 0.46
BRD4 O60885 1/20 0.44
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SLC6A9 P48067 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
EDNRA P25101 1/20 0.40
MAPK1 P28482 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL4941551 0.86 PTGS2 (0.48) PTGS2TSHRHSD17B10ALDH1A1HPGD
SCHEMBL4938374 0.85 SLC6A4 (0.58) PTGS2PTGS1SLC6A4SLC6A3SLC6A9
SCHEMBL4935434 0.85 LMNA (0.53) PTGS2PTGS1BRD4TSHRHSD17B10
SCHEMBL4941127 0.82 SLC6A9 (0.51) PTGS2PTGS1SLC6A4SLC6A3SLC6A9
SCHEMBL2642360 0.81 TSHR (0.58) PTGS2PTGS1TSHRHSD17B10ALDH1A1
SCHEMBL4242649 0.79 SLC6A3 (0.65) ALPLTSHRHSD17B10ALDH1A1HPGD
SCHEMBL4941617 0.78 PTGS2 (0.48) PTGS2TSHRHSD17B10ALDH1A1HPGD
SCHEMBL21709859 0.78 HSD17B10 (0.45) PTGS2PTGS1TSHRHSD17B10ALDH1A1
SCHEMBL3874637 0.76 PTGS2 (0.65) PTGS2SLC6A4SLC6A3SLC6A9CYP1A2
SCHEMBL23693659 0.76 PTGS2 (0.54) PTGS2HSD17B10ALDH1A1HPGDMAPT

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 PTGS2 2558/4885PTGS1 1435/4885ALPL 4222/4885

“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.