SCHEMBL14655413

SCHEMBL14655413

CC(N)C(=O)NCCOCCOCCP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TLR2 O60603 14/20 0.51
CA2 P00918 2/20 0.37
ANPEP P15144 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2415106 0.82 MEN1 (0.47) MEN1KMT2ATLR2CA2
Alafosalin SCHEMBL1582384 0.81 ANPEP (0.45) ANPEPALDH1A1TDP1
Alafosalin SCHEMBL6908702 0.81 ANPEP (0.45) ANPEPALDH1A1TDP1
SCHEMBL13255060 0.80 MEN1 (0.59) MEN1KMT2ATLR2CA2ANPEP
SCHEMBL2415111 0.78 MEN1 (0.43) MEN1KMT2ATLR2CA2
SCHEMBL22307909 0.77 MEN1 (0.55) MEN1KMT2ATLR2CA2ANPEP
SCHEMBL9122686 0.77 MEN1 (0.55) MEN1KMT2ATLR2CA2ANPEP
SCHEMBL13360298 0.76 MEN1 (0.54) MEN1KMT2ATLR2CA2ANPEP
SCHEMBL23610794 0.76 MEN1 (0.47) MEN1KMT2ACA2ALDH1A1TDP1
SCHEMBL7397789 0.76 MEN1 (0.47) MEN1KMT2ACA2ALDH1A1TDP1

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-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS IRM LLC (BM) 2014-10-30 US disclosed
US-8808703-B2 Compounds (cystein based lipopeptides) and compositions as TLR2 agonists used for treating infections, inflammations, respiratory diseases etc NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-08-19 US disclosed
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2013-03-14 US disclosed
EP-2549990-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2013-01-30 EP 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-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS TLR2, TLR1, TLR3 MEN1 4523/4885KMT2A 2630/4885TLR2 1/4885
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. TLR2, TLR4, TLR3 MEN1 4575/4885KMT2A 3127/4885TLR2 1/4885

“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.