SCHEMBL5057760

SCHEMBL5057760

CC(CC(=O)O)C(O)C(=O)OS

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
PGD P52209 1/20 0.34
MAPT P10636 1/20 0.33
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GPR84 Q9NQS5 4/20 0.31

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
SCHEMBL1300984 0.81 SLC22A6 (0.39) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL1300672 0.79 ALDH1A1 (0.37) SLC22A6SMN1; SMN2LMNAGPR84
SCHEMBL1300069 0.75 SMN1; SMN2 (0.48) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL28026299 0.73 SMN1; SMN2 (0.52) SLC22A6SMN1; SMN2PGDMAPTGABRR1
SCHEMBL28026256 0.71 SMN1; SMN2 (0.50) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL28026786 0.71 SMN1; SMN2 (0.50) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL4488636 0.71 SLC22A6 (0.42) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
Ammonia Solution, Strong SCHEMBL28026257 0.71 SMN1; SMN2 (0.50) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL5077944 0.71 SLC22A6 (0.50) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL304303 0.71 SLC22A6 (0.50) SLC22A6SMN1; SMN2MAPTGABRR1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300208-A1 Isociatrate dehydrogenase and uses therof QUARK PHARMACEUTICALS, INC. 2008-12-04 US claimed
US-20040067234-A1 Isocitrate dehydrogenase and uses thereof QUARK PHARMACUTICALS, INC. 2004-04-08 US claimed
US-20080300208-A1 Isociatrate dehydrogenase and uses therof QUARK PHARMACEUTICALS, INC. 2008-12-04 US disclosed
US-20040067234-A1 Isocitrate dehydrogenase and uses thereof QUARK PHARMACUTICALS, INC. 2004-04-08 US 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 (2 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-20040067234-A1 Isocitrate dehydrogenase and uses thereof IDH2, IDH1, IDH3A SLC22A6 1815/4885SMN1; SMN2 2214/4885PGD 726/4885
US-20080300208-A1 Isociatrate dehydrogenase and uses therof IDH2, IDH1, IDH3A SLC22A6 2136/4885SMN1; SMN2 1014/4885PGD 400/4885

“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.