SCHEMBL4938503

SCHEMBL4938503

CC(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
SLC6A9 P48067 2/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 1/20 0.45
CYP3A4 P08684 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
SCHEMBL3930685 0.99 PKM (0.58) PKMALDH1A1SMN1; SMN2SLC6A9KDM4E
SCHEMBL3922339 0.87 SMN1; SMN2 (0.69) PKMALDH1A1SMN1; SMN2SLC6A9KDM4E
SCHEMBL3931311 0.85 PKM (0.64) PKMALDH1A1SMN1; SMN2SLC6A9KDM4E
SCHEMBL1813356 0.83 PKM (0.62) PKMALDH1A1SMN1; SMN2SLC6A9KDM4E
SCHEMBL3927774 0.83 PKM (0.56) PKMALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4930161 0.82 PKM (0.62) PKMALDH1A1SMN1; SMN2SLC6A9KDM4E
SCHEMBL8805891 0.82 PKM (0.64) PKMALDH1A1SMN1; SMN2SLC6A9KDM4E
SCHEMBL11161191 0.81 L3MBTL1 (0.67) PKMALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL3923685 0.81 PKM (0.60) PKMALDH1A1SMN1; SMN2SLC6A9KDM4E
SCHEMBL3919994 0.81 PKM (0.60) PKMALDH1A1SMN1; SMN2SLC6A9KDM4E

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-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
EP-1856077-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-21 EP disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 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-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors SLC6A7, SLC6A5, SLC1A2 PKM 2767/4885ALDH1A1 1381/4885SMN1; SMN2 3532/4885

“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.