SCHEMBL18889449

SCHEMBL18889449

CCCCCCCCCCCC(=O)NCCCCC(NC(=O)CI)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.67
GLP1R P43220 8/20 0.59
EPHX2 P34913 3/20 0.58
SLC6A5 Q9Y345 1/20 0.55
CASP2 P42575 1/20 0.51
FOLH1 Q04609 1/20 0.51

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
SCHEMBL25542907 0.93 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL7041680 0.93 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL25542967 0.93 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL13855526 0.93 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL13855525 0.93 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL14937066 0.93 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL542980 0.93 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL14937349 0.93 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL14937344 0.93 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL25542980 0.93 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143835-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ADOCIA (FR) 2017-05-25 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-20170143835-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ALG8, FUT8, UGT8 NOD1 500/4885GLP1R 1500/4885EPHX2 2628/4885

“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.