SCHEMBL5522251

SCHEMBL5522251

CCCC[C@H](NC(=O)OC)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.42
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 1/20 0.41
▸ GLP1R P43220 8/20 0.40
▸ C3AR1 Q16581 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SLC6A5 Q9Y345 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ NPY4R P50391 1/20 0.37

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
Acetic Acid SCHEMBL9603824 0.92 C3AR1 (0.39) NOD1CTSSGLP1RC3AR1SIRT1
SCHEMBL30481170 0.89 NOD1 (0.43) NOD1GLP1RSIRT6SIRT1SLC6A5
SCHEMBL30481161 0.89 NOD1 (0.43) NOD1GLP1RSIRT6SIRT1SLC6A5
SCHEMBL12292041 0.85 C3AR1 (0.41) NOD1C3AR1SIRT1NPY4R
SCHEMBL30892327 0.83 NOD1 (0.55) NOD1NPY4R
SCHEMBL8209135 0.83 TGM2 (0.39) CTSSC3AR1CTSLNPY4R
SCHEMBL29875551 0.83 C3AR1 (0.40) NOD1C3AR1SIRT6SIRT1SLC6A5
SCHEMBL19975767 0.82 SIRT6 (0.48) NOD1GLP1RC3AR1SIRT6SIRT1
SCHEMBL14089438 0.81 NPY4R (0.42) NOD1GLP1RC3AR1NPY4R
SCHEMBL30471509 0.81 NOD1 (0.46) NOD1SIRT6SIRT1SLC6A5NPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070042030-A1 Preparation for the application of agents in mini-droplets IDEA AG (DE) 2007-02-22 — — US disclosed
EP-0475160-B2 Preparation for drug application in minute droplet form IDEA AG (DE) 2004-07-14 — — EP disclosed
US-6165500-A Preparation for the application of agents in mini-droplets IDEA AG (DE) 2000-12-26 — — US disclosed
EP-0475160-B1 Preparation for drug application in minute droplet form IDEA AG (DE) 1996-02-14 — — EP disclosed
EP-0475160-A1 Preparation for drug application in minute droplet form Cevc, Gregor, Prof. Dr. (DE) 1992-03-18 — — EP disclosed
WO-1992003122-A1 PREPARATION FOR APPLICATION OF ACTIVE SUBSTANCES IN THE FORM OF MINIMUM-SIZED DROPLETS CEVC GREGOR (DE) 1992-03-05 — — 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-20070042030-A1 Preparation for the application of agents in mini-droplets FABP4, NPC1L1, LIPA NOD1 3377/4885CTSS 3139/4885CTSK 3443/4885

“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.

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