SCHEMBL20816296

SCHEMBL20816296

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 9/20 0.54
GRIK1 P39086 3/20 0.49
GRIK2 Q13002 3/20 0.49
SLC1A2 P43004 3/20 0.46
SLC1A1 P43005 3/20 0.46
FFAR4 Q5NUL3 1/20 0.45
FFAR1 O14842 1/20 0.45
DDAH1 O94760 2/20 0.44
SLC1A3 P43003 2/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GSR P00390 1/20 0.44
CYP1A2 P05177 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44

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
SCHEMBL1376620 1.00 NOD1 (0.54) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL3804218 0.81 NOD1 (0.50) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL4541602 0.81 NOS1 (0.51) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL21061677 0.81 PPARG (0.43) NOD1CYP1A2ALOX15BLMKMT2A
SCHEMBL21061336 0.81 PPARG (0.43) NOD1CYP1A2ALOX15BLMKMT2A
SCHEMBL13715261 0.80 ALDH1A1 (0.58) FFAR4FFAR1ALOX15KMT2A
SCHEMBL13715021 0.80 ALDH1A1 (0.58) FFAR4FFAR1ALOX15KMT2A
SCHEMBL2022809 0.80 ALDH1A1 (0.58) FFAR4FFAR1ALOX15KMT2A
SCHEMBL19457415 0.80 ALDH1A1 (0.58) FFAR4FFAR1ALOX15KMT2A
SCHEMBL11308893 0.80 ALDH1A1 (0.58) FFAR4FFAR1ALOX15KMT2A

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-11779446-B2 Oral compositions and methods of use 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-10-10 US disclosed
US-20190083220-A1 ORAL COMPOSITIONS AND METHODS OF USE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2019-03-21 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-20190083220-A1 ORAL COMPOSITIONS AND METHODS OF USE PHOSPHO1, PWWP2B, PLCG2 NOD1 1640/4885GRIK1 1179/4885GRIK2 1448/4885
US-11779446-B2 Oral compositions and methods of use PHOSPHO1, PWWP2B, PLCG2 NOD1 1640/4885GRIK1 1179/4885GRIK2 1448/4885

“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.