SCHEMBL4941594

SCHEMBL4941594

COc1cccc(-c2ccc(S(C)(=O)=O)cc2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
EIF4E P06730 2/20 0.48
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
LMNA P02545 2/20 0.48
GPR35 Q9HC97 3/20 0.47
CYP2C8 P10632 1/20 0.47
PTGS2 P35354 1/20 0.47
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
DHODH Q02127 1/20 0.45
DGAT2 Q96PD7 1/20 0.45

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
SCHEMBL4937565 0.88 KDM4E (0.55) SMN1; SMN2LMNAPTGS2DGAT2
SCHEMBL4942150 0.85 SMN1; SMN2 (0.70) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3875822 0.83 LMNA (0.58) LMNAPTGS2
SCHEMBL3884199 0.81 SLC6A9 (0.53) LMNAGPR35PTGS2AKR1C3
SCHEMBL496484 0.79 KDM4E (0.62) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22336215 0.78 EIF4E (0.54) SMN1; SMN2EIF4EPRKAB2PRKAG1PRKAA2
SCHEMBL6725743 0.76 PTGS2 (0.76) PTGS2
SCHEMBL8202718 0.76 PRKAB2 (0.55) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4940834 0.76 LMNA (0.50) SMN1; SMN2EIF4ELMNAGPR35PTGS2
SCHEMBL4940447 0.76 PTGS2 (0.59) EIF4ELMNAPTGS2DHODH

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 SMN1; SMN2 3393/4885EIF4E 2205/4885PRKAB2 4637/4885

“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.