SCHEMBL21724640

SCHEMBL21724640

CCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)NCC[C@@H](C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.50
FAAH O00519 1/20 0.48
LPAR3 Q9UBY5 4/20 0.47
PLA2G10 O15496 2/20 0.47
LPAR1 Q92633 2/20 0.46
TLR2 O60603 1/20 0.46
EPHX2 P34913 2/20 0.45
NMT2 O60551 1/20 0.45
NMT1 P30419 1/20 0.45
GLP1R P43220 2/20 0.45
SLC6A5 Q9Y345 1/20 0.45

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
SCHEMBL21724544 1.00 NOD1 (0.50) NOD1FAAHLPAR3PLA2G10LPAR1
SCHEMBL21724546 1.00 NOD1 (0.50) NOD1FAAHLPAR3PLA2G10LPAR1
SCHEMBL21724245 1.00 NOD1 (0.50) NOD1FAAHLPAR3PLA2G10LPAR1
SCHEMBL21724545 1.00 NOD1 (0.50) NOD1FAAHLPAR3PLA2G10LPAR1
SCHEMBL21724246 1.00 NOD1 (0.50) NOD1FAAHLPAR3PLA2G10LPAR1
SCHEMBL608031 0.89 NMT2 (0.56) NOD1FAAHLPAR3PLA2G10LPAR1
SCHEMBL21732839 0.88 LPAR3 (0.48) NOD1FAAHLPAR3PLA2G10LPAR1
SCHEMBL21732837 0.88 LPAR3 (0.48) NOD1FAAHLPAR3PLA2G10LPAR1
SCHEMBL21732838 0.88 LPAR3 (0.48) NOD1FAAHLPAR3PLA2G10LPAR1
SCHEMBL30910767 0.88 LPAR3 (0.48) NOD1FAAHLPAR3PLA2G10LPAR1

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-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 US disclosed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 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 (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-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 NOD1 1314/4885FAAH 2742/4885LPAR3 2416/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 NOD1 1314/4885FAAH 2742/4885LPAR3 2416/4885

“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.