SCHEMBL794471

SCHEMBL794471

CCCCCCCCOC(=O)[C@@H](N)CCC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.56
NAAA Q02083 1/20 0.46
HTR2C P28335 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
EPHX1 P07099 1/20 0.43
MEN1 O00255 1/20 0.43
FAAH O00519 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SOAT1 P35610 1/20 0.43
TSHR P16473 2/20 0.42
DGKA P23743 1/20 0.42

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
SCHEMBL7780347 1.00 NOD1 (0.56) NOD1NAAAHTR2CPRSS1PRSS2
SCHEMBL7775113 1.00 NOD1 (0.56) NOD1NAAAHTR2CPRSS1PRSS2
SCHEMBL7781974 1.00 NOD1 (0.56) NOD1NAAAHTR2CPRSS1PRSS2
SCHEMBL27754415 1.00 NOD1 (0.56) NOD1NAAAHTR2CPRSS1PRSS2
SCHEMBL7781972 1.00 NOD1 (0.56) NOD1NAAAHTR2CPRSS1PRSS2
SCHEMBL7775110 1.00 NOD1 (0.56) NOD1NAAAHTR2CPRSS1PRSS2
SCHEMBL7350344 1.00 NOD1 (0.56) NOD1NAAAHTR2CPRSS1PRSS2
SCHEMBL7050366 1.00 NOD1 (0.56) NOD1NAAAHTR2CPRSS1PRSS2
SCHEMBL28155523 0.98 NOD1 (0.55) NOD1NAAAHTR2CPRSS1PRSS2
SCHEMBL2732561 0.98 NOD1 (0.54) NOD1NAAAHTR2CPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557893-B2 Substituted saccharide compounds and dental compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-15 US disclosed
EP-2616476-A2 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS 3M Innovative Properties Company (US) 2013-07-24 EP disclosed
US-20130164709-A1 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-06-27 US disclosed
WO-2012036838-A2 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-22 WO disclosed
CN-101365415-A Gelling agent AJINOMOTO KK (JP) 2009-02-11 CN 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-20130164709-A1 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS SI, ACMSD, SORD NOD1 122/4885NAAA 462/4885HTR2C 1304/4885

“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.