SCHEMBL22015849

SCHEMBL22015849

CC[S+]([O-])C[C@H](NC(=O)CCC(N)C(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 14/20 0.56
FOLH1 Q04609 2/20 0.46
PTGS1 P23219 1/20 0.46
GSTK1 Q9Y2Q3 1/20 0.46
GLO1 Q04760 1/20 0.43
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GSR P00390 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRIK1 P39086 1/20 0.40
GRM5 P41594 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRIA4 P48058 1/20 0.40

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
SCHEMBL22015695 1.00 NOD1 (0.56) NOD1FOLH1PTGS1GSTK1GLO1
SCHEMBL22015926 0.86 PTGS1 (0.64) NOD1FOLH1PTGS1GSTK1GLO1
SCHEMBL22015913 0.86 PTGS1 (0.64) NOD1FOLH1PTGS1GSTK1GLO1
SCHEMBL20077214 0.85 NOD1 (0.55) NOD1FOLH1PTGS1GSTK1GLO1
SCHEMBL20077204 0.85 NOD1 (0.55) NOD1FOLH1PTGS1GSTK1GLO1
SCHEMBL22015678 0.83 NOD1 (0.52) NOD1FOLH1PTGS1GSTK1GLO1
SCHEMBL22015669 0.83 NOD1 (0.52) NOD1FOLH1PTGS1GSTK1GLO1
SCHEMBL211038 0.82 NOD1 (0.46) NOD1FOLH1PTGS1GSTK1GLO1
SCHEMBL31006263 0.80 NOD1 (0.44) NOD1FOLH1PTGS1GSTK1GLO1
SCHEMBL9300750 0.80 NOD1 (0.66) NOD1FOLH1PTGS1GSTK1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine EPICENTRX, INC. (US) 2021-05-18 US disclosed
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE EPICENTRX, INC. 2020-05-21 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-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine AS3MT, SLC10A6, SLCO1B3 NOD1 3372/4885FOLH1 1645/4885PTGS1 3711/4885
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE AS3MT, SLC10A6, SLCO1B3 NOD1 3372/4885FOLH1 1645/4885PTGS1 3711/4885

“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.