SCHEMBL18796595

SCHEMBL18796595

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.64
NOD1 Q9Y239 9/20 0.55
DNM1 Q05193 1/20 0.51
KMT2A Q03164 3/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
TLR2 O60603 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
MEN1 O00255 1/20 0.49
FAAH O00519 1/20 0.49
MAPK1 P28482 1/20 0.49
NMT2 O60551 1/20 0.48
NMT1 P30419 1/20 0.48
ERAP2 Q6P179 1/20 0.47
LNPEP Q9UIQ6 1/20 0.47

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
SCHEMBL3174597 1.00 SLC6A5 (0.64) SLC6A5NOD1DNM1KMT2AITGB3
SCHEMBL3174603 1.00 SLC6A5 (0.64) SLC6A5NOD1DNM1KMT2AITGB3
SCHEMBL28476514 1.00 SLC6A5 (0.64) SLC6A5NOD1DNM1KMT2AITGB3
SCHEMBL28694023 1.00 SLC6A5 (0.64) SLC6A5NOD1DNM1KMT2AITGB3
SCHEMBL8015739 1.00 SLC6A5 (0.64) SLC6A5NOD1DNM1KMT2AITGB3
SCHEMBL8620977 1.00 SLC6A5 (0.64) SLC6A5NOD1DNM1KMT2AITGB3
SCHEMBL28476515 1.00 SLC6A5 (0.64) SLC6A5NOD1DNM1KMT2AITGB3
SCHEMBL18796577 1.00 SLC6A5 (0.64) SLC6A5NOD1DNM1KMT2AITGB3
SCHEMBL8015737 1.00 SLC6A5 (0.64) SLC6A5NOD1DNM1KMT2AITGB3
SCHEMBL8620973 1.00 SLC6A5 (0.64) SLC6A5NOD1DNM1KMT2AITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511318-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2019-07-17 EP claimed
EP-3368508-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-09-05 EP claimed
US-20180243421-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-08-30 US claimed
WO-2017073797-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2017-05-04 WO claimed
CN-111939147-B NnApplication of-acylamino acid ester in preparation of antitumor drugs 中南大学 2022-01-21 CN disclosed
EP-3511318-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2019-07-17 EP disclosed
EP-3368508-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-09-05 EP disclosed
US-20180243421-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-08-30 US disclosed
WO-2017073797-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2017-05-04 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-20180243421-A1 IMMUNOSTIMULATING AGENT MYD88, IL2, IFNG SLC6A5 4504/4885NOD1 72/4885DNM1 4348/4885

“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.