SCHEMBL712704

SCHEMBL712704

O=C(O)CCC(CC(=O)CCNC(=O)CI)(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.32
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6847342 0.78 MEN1 (0.31)
SCHEMBL2216342 0.70 ALDH1A1 (0.32) SMN1; SMN2
SCHEMBL964583 0.66 ECE1 (0.58) ECE1HTT
SCHEMBL7749425 0.66 ALDH1A1 (0.38) HPGDHTTSMN1; SMN2
SCHEMBL1062014 0.64 ALDH1A1 (0.33)
SCHEMBL29229819 0.64 SMN1; SMN2 (0.51) ECE1HPGDHTTSMN1; SMN2
SCHEMBL8191582 0.64 HPGD (0.36) HPGDHTTSMN1; SMN2
SCHEMBL31674997 0.63 MEN1 (0.32)
SCHEMBL21986417 0.62 EPHX2 (0.42) HPGDHTTSMN1; SMN2
SCHEMBL25217270 0.61 LMNA (0.32) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10376593-B2 Glycoconjugates and their use as potential vaccines against infection by Shigella flexneri Universite De Paris (FR) 2019-08-13 US disclosed
US-9446109-B2 Glycoconjugates and their use as potential vaccines against infection by Shigella flexneri INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-09-20 US disclosed
US-20150290331-A1 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI Universite De Paris (FR) 2015-10-15 US disclosed
US-8124380-B2 Oligo/polysaccharides bound to carrier; immunogens; monoclonal antibodies; chimeric antibodies; kits; host cells; transgenic plants/animals INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2012-02-28 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-20150290331-A1 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI YBX1, HEXD, DDOST ECE1 1922/4885HPGD 2461/4885HTT 3455/4885
US-10376593-B2 Glycoconjugates and their use as potential vaccines against infection by Shigella flexneri YBX1, HEXD, DDOST ECE1 1922/4885HPGD 2461/4885HTT 3455/4885

“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.