SCHEMBL4728548

SCHEMBL4728548

N[C@H](C(=O)O)[C@@H](O)CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.58
SLC1A3 P43003 3/20 0.50
SLC1A2 P43004 3/20 0.50
SLC1A1 P43005 3/20 0.50
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL14177426 1.00 GRIK1 (0.58) GRIK1SLC1A3SLC1A2SLC1A1HDAC3
SCHEMBL14169359 1.00 GRIK1 (0.58) GRIK1SLC1A3SLC1A2SLC1A1HDAC3
SCHEMBL14169646 0.95 GRIK1 (0.53) GRIK1SLC1A3SLC1A2SLC1A1HDAC3
SCHEMBL14169346 0.90 GRIK1 (0.55) GRIK1SLC1A3SLC1A2SLC1A1HDAC3
SCHEMBL1881095 0.89 SLC1A3 (0.53) GRIK1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL10654495 0.89 SLC1A3 (0.53) GRIK1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL1880545 0.89 SLC1A3 (0.53) GRIK1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL1884112 0.89 SLC1A3 (0.53) GRIK1SLC1A3SLC1A2SLC1A1MEN1
Hydrochloric Acid SCHEMBL1886816 0.88 SLC1A3 (0.51) GRIK1SLC1A3SLC1A2SLC1A1MEN1
Hydrochloric Acid SCHEMBL1881444 0.88 SLC1A3 (0.51) GRIK1SLC1A3SLC1A2SLC1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139455-A1 COMPOUNDS AND METHODS OF TREATING METABOLIC SYNDROME AND INFLAMMATION FORBES MEDI-TECH (RESEARCH), INC. (US) 2008-06-12 US disclosed
US-20080139455-A1 COMPOUNDS AND METHODS OF TREATING METABOLIC SYNDROME AND INFLAMMATION FORBES MEDI-TECH (RESEARCH), INC. (US) 2008-06-12 US disclosed
WO-2008046071-A2 COMPOUNDS AND METHODS OF TREATING METABOLIC SYNDROME AND INFLAMMATION TRANSITION THERAPEUTICS INC. (CA) 2008-04-17 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-20080139455-A1 COMPOUNDS AND METHODS OF TREATING METABOLIC SYNDROME AND INFLAMMATION PNLIP, CPT1A, CPT1B GRIK1 2116/4885SLC1A3 4647/4885SLC1A2 4801/4885

“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.