SCHEMBL2778592

SCHEMBL2778592

CCCCCCCCCC(N[C@@H](CCCCN)C(=O)O)C(C[C@@H](N)Cc1ccccc1C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 10/20 0.43
FOLH1 Q04609 2/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL2184040 0.73 TLR2 (0.47) TLR2FOLH1ALDH1A1SLC6A5MMP2
SCHEMBL8680643 0.69 ALDH1A1 (0.55) FOLH1ALDH1A1
SCHEMBL6259652 0.69 ALDH1A1 (0.55) FOLH1ALDH1A1
SCHEMBL5187817 0.68 ALDH1A1 (0.49) FOLH1ALDH1A1
Octadecylamine SCHEMBL30381430 0.68 ALDH1A1 (0.55) ALDH1A1
Phthalic Acid SCHEMBL11415642 0.68 ALDH1A1 (0.55) ALDH1A1
Dodecylamine SCHEMBL5968460 0.68 ALDH1A1 (0.55) ALDH1A1
Octadecylamine SCHEMBL30381571 0.68 ALDH1A1 (0.55) ALDH1A1
Octadecylamine SCHEMBL4067737 0.68 ALDH1A1 (0.55) ALDH1A1
SCHEMBL7102378 0.68 FOLH1 (0.48) TLR2FOLH1ALDH1A1MMP2

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-20100330033-A1 Protein-carrier conjugates WU NIAN 2010-12-30 US disclosed
WO-2010120365-A2 PROTEIN-CARRIER CONJUGATES WU NIAN (US) 2010-10-21 WO 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-20100330033-A1 Protein-carrier conjugates CHLSN, PCTP, CETP TLR2 3790/4885FOLH1 88/4885ITGB3 2382/4885

“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.