SCHEMBL4602401

SCHEMBL4602401

CC(=CC(=O)O)C(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.42
NOS1 P29475 3/20 0.42
NOS3 P29474 2/20 0.42
SLC1A5 Q15758 1/20 0.37
IDO1 P14902 1/20 0.36
SLC7A5 Q01650 1/20 0.35
GRIK1 P39086 6/20 0.35
GRIK2 Q13002 4/20 0.35
PTGS1 P23219 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.33
GFPT1 Q06210 1/20 0.33
GRIA2 P42262 2/20 0.33
GRIA4 P48058 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK5 Q16478 2/20 0.33
GRIA1 P42261 1/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL31362045 0.79 TSHR (0.35) TSHRALDH1A1
SCHEMBL31362044 0.79 TSHR (0.35) TSHRALDH1A1
SCHEMBL29558246 0.79 TSHR (0.53) TSHRALDH1A1
SCHEMBL29557799 0.79 TSHR (0.53) TSHRALDH1A1
SCHEMBL8229301 0.79 NOS3 (0.49) NOS2NOS1NOS3SLC1A5IDO1
SCHEMBL850905 0.79 NOS3 (0.49) NOS2NOS1NOS3SLC1A5IDO1
SCHEMBL30139627 0.78 TSHR (0.34) TSHRALDH1A1
SCHEMBL10187395 0.76 TSHR (0.59) NOS2NOS1NOS3SLC1A5IDO1
SCHEMBL1231993 0.76 TSHR (0.59) NOS2NOS1NOS3SLC1A5IDO1
SCHEMBL9437133 0.75 MEN1 (0.40) TSHR

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-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-09-18 US claimed
EP-1915334-A2 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE Aditech Pharma AB (SE) 2008-04-30 EP claimed
WO-2007006307-A2 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE ADITECH PHARMA AB (SE) 2007-01-18 WO claimed
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-09-18 US disclosed
EP-1915334-A2 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE Aditech Pharma AB (SE) 2008-04-30 EP disclosed
WO-2007006307-A2 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE ADITECH PHARMA AB (SE) 2007-01-18 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-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use FAH, SLC16A1, FH NOS2 1337/4885NOS1 2261/4885NOS3 2190/4885

“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.