SCHEMBL10045772

SCHEMBL10045772

CNCCCC(N)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.54
OTC P00480 1/20 0.51
NOS2 P35228 4/20 0.48
NOS3 P29474 3/20 0.48
NOS1 P29475 3/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ARG2 P78540 4/20 0.48
ARG1 P05089 3/20 0.48
DDAH1 O94760 1/20 0.47
CYP1A2 P05177 3/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
GLA P06280 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46

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
SCHEMBL31688818 1.00 GSR (0.54) GSROTCNOS2NOS3NOS1
SCHEMBL3438660 1.00 GSR (0.54) GSROTCNOS2NOS3NOS1
SCHEMBL432790 0.94 GSR (0.57) GSROTCNOS2NOS3NOS1
SCHEMBL623369 0.94 GSR (0.57) GSROTCNOS2NOS3NOS1
SCHEMBL64149 0.94 GSR (0.57) GSROTCNOS2NOS3NOS1
SCHEMBL28449339 0.92 GSR (0.55) GSROTCNOS2NOS3NOS1
SCHEMBL6369985 0.92 GSR (0.55) GSROTCNOS2NOS3NOS1
Hydrochloric Acid SCHEMBL8919761 0.92 GSR (0.55) GSRNOS2NOS3NOS1CYP2C19
SCHEMBL25670261 0.92 GSR (0.55) GSROTCNOS2NOS3NOS1
Hydrochloric Acid SCHEMBL5971277 0.92 GSR (0.55) GSRNOS2NOS3NOS1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11872262-B2 Means and methods for treating bacterial infections VIB VZW (BE) 2024-01-16 US disclosed
US-11872262-B2 Means and methods for treating bacterial infections VIB VZW (BE) 2024-01-16 US disclosed
EP-3339315-B1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS RETROTOPE INC (US) 2023-10-18 EP disclosed
US-20210077563-A1 Means and Methods for Treating Bacterial Infections VIB VZW (BE) 2021-03-18 US disclosed
US-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 US disclosed
WO-2021026492-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS Humanwell Pharmaceutical US (US) 2021-02-11 WO disclosed
EP-1641888-B1 AMINO ACID DERIVATIVES AND THEIR USE AS A SAG CONTROL AGENT NUPLEX RESINS BV (NL) 2012-02-29 EP disclosed
EP-2295560-A1 Directed evolution of arginine deiminase for increased activity at physiological pH RWTH Aachen University (DE) 2011-03-16 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 (3 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-20210077563-A1 Means and Methods for Treating Bacterial Infections VIP, MMP8, SLC11A2 GSR 1416/4885OTC 1626/4885NOS2 209/4885
US-11872262-B2 Means and methods for treating bacterial infections VIP, MMP8, SLC11A2 GSR 1416/4885OTC 1626/4885NOS2 209/4885
US-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS OPRK1, OPRL1, OPRD1 GSR 3884/4885OTC 2544/4885NOS2 2058/4885

“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.