SCHEMBL3385726

SCHEMBL3385726

C=CS(=O)(=O)NCC(N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.39
GRIK2 Q13002 6/20 0.39
GFPT1 Q06210 1/20 0.38
PMP22 Q01453 1/20 0.36
PTGS1 P23219 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35
CASR P41180 7/20 0.35
GRM1 Q13255 2/20 0.35
GRM2 Q14416 2/20 0.35
SLC7A5 Q01650 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33

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
SCHEMBL22689682 0.78 GSR (0.46) PMP22GSRCYP1A2
SCHEMBL1768840 0.75 PTGS1 (0.41) GRIK1GRIK2GFPT1PMP22PTGS1
SCHEMBL1823399 0.75 PTGS1 (0.41) GRIK1GRIK2GFPT1PMP22PTGS1
SCHEMBL28961753 0.75 PTGS1 (0.41) GRIK1GRIK2GFPT1PMP22PTGS1
SCHEMBL1768843 0.75 PTGS1 (0.41) GRIK1GRIK2GFPT1PMP22PTGS1
SCHEMBL22128271 0.74 MEN1 (0.36) SLC1A3SLC1A2SLC1A1
SCHEMBL22128268 0.74 MEN1 (0.36) SLC1A3SLC1A2SLC1A1
SCHEMBL8441116 0.74 PMP22 (0.48) GRIK1GRIK2GFPT1PMP22PTGS1
SCHEMBL8441119 0.74 PMP22 (0.48) GRIK1GRIK2GFPT1PMP22PTGS1
SCHEMBL31688971 0.74 PMP22 (0.48) GRIK1GRIK2GFPT1PMP22PTGS1

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-8445706-B2 Unnatural amino acids capable of covalently modifying protein phosphatases and their use as general and specific inhibitors and probes BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-05-21 US claimed
US-20100061936-A1 UNNATURAL AMINO ACIDS CAPABLE OF COVALENTLY MODIFYING PROTEIN PHOSPHATASES AND THEIR USE AS GENERAL AND SPECIFIC INHIBITORS AND PROBES BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY 2010-03-11 US claimed
US-20120245029-A1 NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-09-27 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 (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-20120245029-A1 NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS TYMP, PNP, MTAP GRIK1 4605/4885GRIK2 4848/4885GFPT1 1064/4885

“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.