SCHEMBL4363677

SCHEMBL4363677

N[C@@H](CSOCC(O)CO)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.37
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.33
NOS2 P35228 3/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
KIF11 P52732 4/20 0.32
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
SLC7A5 Q01650 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31

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
SCHEMBL3424658 0.75 AKR1B1 (0.31)
SCHEMBL1275073 0.73 ARG1 (0.48) SLC1A1ARG1ARG2ALDH1A1ALOX15
SCHEMBL788420 0.73 ARG1 (0.48) SLC1A1ARG1ARG2ALDH1A1ALOX15
SCHEMBL788419 0.73 ARG1 (0.48) SLC1A1ARG1ARG2ALDH1A1ALOX15
SCHEMBL2017576 0.70 P2RY10 (0.56)
SCHEMBL22219423 0.70 P2RY10 (0.56)
SCHEMBL30244695 0.70 P2RY10 (0.56)
SCHEMBL21067706 0.70 P2RY10 (0.56)
SCHEMBL13863415 0.70 P2RY10 (0.56)
SCHEMBL29715574 0.70 P2RY10 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377099-A1 ADJUVANTING SYSTEMS AND WATER-FREE VACCINE COMPOSITIONS COMPRISING A POLYI:C POLYNUCLEOTIDE ADJUVANT AND A LIPID-BASED ADJUVANT ImmunoVaccine Technologies Inc. (CA) 2018-09-26 EP disclosed
US-9567336-B2 Conjugated TLR7 and/or TLR8 and TLR2 agonists INVIVOGEN (FR) 2017-02-14 US disclosed
EP-2769738-B1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists INVIVOGEN (FR) 2016-07-20 EP disclosed
US-9295732-B2 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists INVIVOGEN (FR) 2016-03-29 US disclosed
EP-2732825-B1 Conjugates of a TLR7 and/or TLR8 agonist and a TLR2 agonist INVIVOGEN (FR) 2015-07-01 EP disclosed
US-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists CAYLA (FR) 2014-08-28 US disclosed
EP-2769738-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists Invivogen (FR) 2014-08-27 EP disclosed
US-20140141033-A1 CONJUGATED TLR7 AND/OR TLR8 AND TLR2 AGONISTS CAYLA (FR) 2014-05-22 US disclosed
EP-2732825-A1 Conjugated TLR7 and/or TLR8 and TLR2 agonists Invivogen (FR) 2014-05-21 EP disclosed
WO-2009137103-A2 ANTI-CANCER/ANTI-VIRAL COMPOUNDS AND METHODS OF USE OURTH DONALD D (US) 2009-11-12 WO disclosed
US-6074650-A INDUCTION OF CYTOTOXIC LYMPHOCYTES HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
US-6024964-A ANTIBODIES AND ANTIGENS WITH MEMBRANE ANCHORING HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-15 US 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-20140141033-A1 CONJUGATED TLR7 AND/OR TLR8 AND TLR2 AGONISTS TLR7, TLR8, TLR9 SLC1A1 4272/4885ARG1 1565/4885ARG2 1341/4885
US-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists TLR7, TLR8, TLR9 SLC1A1 3624/4885ARG1 830/4885ARG2 1075/4885

“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.